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Pyrroles
Description:
Compounds containing a pyrrole ring, which is a five-member aromatic heterocycle with one nitrogen atom and four carbon atoms.
Ancestors:
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Methyl4-phenyl-1h-pyrrole-3-carboxylateCas Number: 40167-34-8 Compound CID: 5142464Formula: C12H11NO2 Molecular Weight: 201.23IUPAC Name: methyl 4-phenyl-1H-pyrrole-3-carboxylateSMILES: COC(=O)C1=CNC=C1C2=CC=CC=C2InChIKey: IQUXHEPTOZFPQJ-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-8,13H,1H3 -
Methyl 5-(aminomethyl)-1H-pyrrole-2-carboxylateCas Number: 263382-27-0 Compound CID: 45082092IUPAC Name: methyl 5-(aminomethyl)-1H-pyrrole-2-carboxylateSMILES: COC(=O)C1=CC=C(N1)CNInChIKey: XNERWJGKTKYMRU-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2/c1-11-7(10)6-3-2-5(4-8)9-6/h2-3,9H,4,8H2,1H3
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Methyl 4-chloro-1H-pyrrole-2-carboxylateCas Number: 1194-96-3 Compound CID: 11829727Formula: C6H6ClNO2 Molecular Weight: 159.57IUPAC Name: methyl 4-chloro-1H-pyrrole-2-carboxylateSMILES: COC(=O)C1=CC(=CN1)ClInChIKey: LHGVCFRRQZZMCK-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
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Ethyl 5-methyl-1H-pyrrole-3-carboxylateCas Number: 2199-50-0 Compound CID: 12586753Formula: C8H11NO2 Molecular Weight: 153.18IUPAC Name: ethyl 5-methyl-1H-pyrrole-3-carboxylateSMILES: CCOC(=O)C1=CNC(=C1)CInChIKey: KCDURADJPCIWEU-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4-5,9H,3H2,1-2H3
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Ethyl 5-bromo-1H-pyrrole-2-carboxylateFormula: C7H8BrNO2 Molecular Weight: 218.05IUPAC Name: ethyl 5-bromo-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=CC=C(N1)BrInChIKey: MAWSPHLRAHWQKY-UHFFFAOYSA-NInChI: InChI=1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3
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Ethyl 3-formyl-1H-pyrrole-2-carboxylateCas Number: 36131-43-8 Compound CID: 12572341Formula: C8H9NO3 Molecular Weight: 167.16IUPAC Name: ethyl 3-formyl-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=C(C=CN1)C=OInChIKey: DHBCCUBZOOUZAX-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-5,9H,2H2,1H3
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Ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylateCas Number: 237435-27-7 Compound CID: 10751930Formula: C13H14N2O2 Molecular Weight: 230.26IUPAC Name: ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=C(C=C(N1)C2=CC=CC=C2)NInChIKey: DJUKQRWPMVBJPJ-UHFFFAOYSA-NInChI: InChI=1S/C13H14N2O2/c1-2-17-13(16)12-10(14)8-11(15-12)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
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Ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylateCas Number: 1005326-26-0 Compound CID: 24754830Formula: C8H12N2O2 Molecular Weight: 168.2IUPAC Name: ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=C(C=C(N1)C)NInChIKey: OOSMAEUAYYOGKI-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-3-12-8(11)7-6(9)4-5(2)10-7/h4,10H,3,9H2,1-2H3
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Ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylateCas Number: 75448-69-0 Compound CID: 71748348Formula: C8H11NO3 Molecular Weight: 169.18IUPAC Name: ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)C1=C(C=CN1)COInChIKey: WCYXMMUKYMVJKG-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-4,9-10H,2,5H2,1H3
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Di-tert-butyl 3，5-dimethyl-1H-pyrrole-2，4-dicarboxylateCas Number: 94461-44-6 Compound CID: 40428943Formula: C16H25NO4 Molecular Weight: 295.37IUPAC Name: ditert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylateSMILES: CC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)CInChIKey: KQSCGNZQARWILK-UHFFFAOYSA-NInChI: InChI=1S/C16H25NO4/c1-9-11(13(18)20-15(3,4)5)10(2)17-12(9)14(19)21-16(6,7)8/h17H,1-8H3
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5-Isopropyl-1H-pyrrole-2-carboxylic acidCas Number: 90607-16-2 Compound CID: 45082075Formula: C8H11NO2 Molecular Weight: 153.18IUPAC Name: 5-propan-2-yl-1H-pyrrole-2-carboxylic acidSMILES: CC(C)C1=CC=C(N1)C(=O)OInChIKey: RUVJYWIINMYEAQ-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h3-5,9H,1-2H3,(H,10,11)
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5-Formyl-1H-pyrrole-2-carboxylic acidCas Number: 7126-51-4 Compound CID: 15160089Formula: C6H5NO3IUPAC Name: 5-formyl-1H-pyrrole-2-carboxylic acidSMILES: C1=C(NC(=C1)C(=O)O)C=OInChIKey: RHYXVCZQDGPFBX-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO3/c8-3-4-1-2-5(7-4)6(9)10/h1-3,7H,(H,9,10)
