Pyrroles

Description:

Compounds containing a pyrrole ring, which is a five-member aromatic heterocycle with one nitrogen atom and four carbon atoms.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Pyrroles

Ethyl 4，5-dimethyl-1H-pyrrole-2-carboxylate
- ≥95%
Cas Number: 2199-45-3 Compound CID: 137478

Formula: C₉H₁₃NO₂ Molecular Weight: 167.2

IUPAC Name: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate

SMILES: CCOC(=O)C1=CC(=C(N1)C)C

InChIKey: NJUXFNQDUIJYPO-UHFFFAOYSA-N

InChI: InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)7(3)10-8/h5,10H,4H2,1-3H3
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Ethyl 4-(1-pyrrolyl)benzoate
- ≥97%
Cas Number: 5044-37-1 Compound CID: 2736468

Formula: C₁₃H₁₃NO₂ Molecular Weight: 215.24

IUPAC Name: ethyl 4-pyrrol-1-ylbenzoate

SMILES: CCOC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChIKey: FOELSWUYONNGSV-UHFFFAOYSA-N

InChI: InChI=1S/C13H13NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14/h3-10H,2H2,1H3
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Ethyl 4-(3-methoxy-3-oxopropyl)-3，5-dimethyl-1H-pyrrole-2-carboxylate
- ≥95%
Cas Number: 2386-37-0 Compound CID: 291754

Formula: C₁₃H₁₉NO₄ Molecular Weight: 253.29

IUPAC Name: ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

SMILES: CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)OC)C

InChIKey: KKBICYRCYZAPRF-UHFFFAOYSA-N

InChI: InChI=1S/C13H19NO4/c1-5-18-13(16)12-8(2)10(9(3)14-12)6-7-11(15)17-4/h14H,5-7H2,1-4H3
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Ethyl 1-methyl-1H-pyrrole-2-carboxylate
- ≥95%
Cas Number: 23466-27-5 Compound CID: 90112

Formula: C₈H₁₁NO₂ Molecular Weight: 153.18

IUPAC Name: ethyl 1-methylpyrrole-2-carboxylate

SMILES: CCOC(=O)C1=CC=CN1C

InChIKey: IIKHONWHFIKUQV-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO2/c1-3-11-8(10)7-5-4-6-9(7)2/h4-6H,3H2,1-2H3
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4-Formyl-3，5-dimethyl-1H-pyrrole-2-carboxylic acid
- ≥95%
Cas Number: 17120-26-2 Compound CID: 687898

Formula: C₈H₉NO₃ Molecular Weight: 167.16

IUPAC Name: 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

SMILES: CC1=C(NC(=C1C=O)C)C(=O)O

InChIKey: ATIAZNFYOJDAIO-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO3/c1-4-6(3-10)5(2)9-7(4)8(11)12/h3,9H,1-2H3,(H,11,12)
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4-(Pyridin-4-yl)-1H-pyrrole-3-carboxylic acid
- ≥98%
Cas Number: 197774-71-3 Compound CID: 1519377

Formula: C₁₀H₈N₂O₂ Molecular Weight: 188.18

IUPAC Name: 4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid

SMILES: C1=CN=CC=C1C2=CNC=C2C(=O)O

InChIKey: DEZPLIJUGSJTCE-UHFFFAOYSA-N

InChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-1-3-11-4-2-7/h1-6,12H,(H,13,14)
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4-(Pyridin-3-yl)-1H-pyrrole-3-carboxylic acid
- ≥98%
Cas Number: 885954-13-2 Compound CID: 1519378

Formula: C₁₀H₈N₂O₂ Molecular Weight: 188.19

IUPAC Name: 4-pyridin-3-yl-1H-pyrrole-3-carboxylic acid

SMILES: C1=CC(=CN=C1)C2=CNC=C2C(=O)O

InChIKey: MAGYOMUEXSZVNW-UHFFFAOYSA-N

InChI: InChI=1S/C10H8N2O2/c13-10(14)9-6-12-5-8(9)7-2-1-3-11-4-7/h1-6,12H,(H,13,14)
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4-Ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxylic acid
- ≥97%
Cas Number: 5442-91-1 Compound CID: 224709

Formula: C₁₀H₁₃NO₄ Molecular Weight: 211.22

IUPAC Name: 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)O)C

InChIKey: DXKYHAPIBYYLJR-UHFFFAOYSA-N

InChI: InChI=1S/C10H13NO4/c1-4-15-10(14)7-5(2)8(9(12)13)11-6(7)3/h11H,4H2,1-3H3,(H,12,13)

Synonyms: 4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | 4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid
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4-(2，5-DIMETHYL-1H-PYRROL-1-YL)BENZALDEHYDE
- ≥95%
Cas Number: 95337-70-5 Compound CID: 2764550

Formula: C₁₃H₁₃NO Molecular Weight: 199.25

IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzaldehyde

SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C=O)C

InChIKey: BYUCOWZETDGUAS-UHFFFAOYSA-N

InChI: InChI=1S/C13H13NO/c1-10-3-4-11(2)14(10)13-7-5-12(9-15)6-8-13/h3-9H,1-2H3
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3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid
- ≥95%
Cas Number: 5434-29-7 Compound CID: 225903

Formula: C₈H₉NO₄ Molecular Weight: 183.17

IUPAC Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid

SMILES: CC1=C(NC(=C1C(=O)O)C)C(=O)O

InChIKey: LGAFIBCWNKPENX-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO4/c1-3-5(7(10)11)4(2)9-6(3)8(12)13/h9H,1-2H3,(H,10,11)(H,12,13)

Synonyms: 3,5-dimethyl-pyrrole-2,4-dicarboxylic acid | 3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure
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3-Furfuryl 2-pyrrolecarboxylate
- ≥95%
Cas Number: 119767-00-9 Compound CID: 189695

IUPAC Name: furan-3-ylmethyl 1H-pyrrole-2-carboxylate

SMILES: C1=CNC(=C1)C(=O)OCC2=COC=C2

InChIKey: CSYQMTPUTVJNPT-UHFFFAOYSA-N

InChI: InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2
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3-(2，5-Dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole
- ≥97%
Cas Number: 34605-66-8 Compound CID: 13248995

Formula: C₁₀H₁₃N₃ Molecular Weight: 175.23

IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole

SMILES: CC1=CC=C(N1C2=NN(C=C2)C)C

InChIKey: RXHSFTMENSSYLC-UHFFFAOYSA-N

InChI: InChI=1S/C10H13N3/c1-8-4-5-9(2)13(8)10-6-7-12(3)11-10/h4-7H,1-3H3
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