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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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Carbamic acid， N-1H-pyrrol-2-yl-， 1，1-dimethylethyl esterCas Number: 1784224-90-3Formula: C9H14N2O2 Molecular Weight: 182.2197SMILES: CC(C)(C)OC(=O)NC1=CC=CN1InChIKey: FMZRREGKVGYJDA-UHFFFAOYSA-NInChI: InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10-7/h4-6,10H,1-3H3,(H,11,12) -
5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acidCas Number: 90610-57-4Formula: C9H11NO4 Molecular Weight: 197.19SMILES: CCOC(=O)C1=C(C(=CN1)C(=O)O)CInChIKey: MGEYWENIZONWLZ-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO4/c1-3-14-9(13)7-5(2)6(4-10-7)8(11)12/h4,10H,3H2,1-2H3,(H,11,12)
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5-(Methoxycarbonyl)-1H-pyrrole-2-carboxylic acidCas Number: 1199-64-0Formula: C7H7NO4 Molecular Weight: 169.13SMILES: COC(=O)C1=CC=C(N1)C(=O)OInChIKey: RSCFOPAKJCCZNX-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO4/c1-12-7(11)5-3-2-4(8-5)6(9)10/h2-3,8H,1H3,(H,9,10)
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2，3-Dimethyl-1H-PyrroleCas Number: 600-28-2Formula: C6H9N Molecular Weight: 95.1424SMILES: CC1=C(NC=C1)CInChIKey: OUYLXVQKVBXUGW-UHFFFAOYSA-NInChI: InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3
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pyrrole-2-carbonyl chlorideCas Number: 5427-82-7Formula: C5H4ClNO Molecular Weight: 129.5444SMILES: C1=CNC(=C1)C(=O)ClInChIKey: SFGNNBCWQOIVAZ-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClNO/c6-5(8)4-2-1-3-7-4/h1-3,7H
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Ethyl 2，4-Dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionateCas Number: 54278-10-3 Compound CID: 291761Formula: C14H21NO4 Molecular Weight: 267.32IUPAC Name: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylateSMILES: CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)CInChIKey: ZYNJVGCLOFPWFZ-UHFFFAOYSA-NInChI: InChI=1S/C14H21NO4/c1-5-18-12(16)8-7-11-9(3)13(15-10(11)4)14(17)19-6-2/h15H,5-8H2,1-4H3Synonyms: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
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4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileCas Number: 122454-29-9 Compound CID: 183559Formula: C12H5BrClF3N2 Molecular Weight: 349.53IUPAC Name: 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileSMILES: C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)ClInChIKey: XNFIRYXKTXAHAC-UHFFFAOYSA-NInChI: InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H
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2-amino-4-methyl-1-propylpyrrole-3-carbonitrileCas Number: 804519-27-5Formula: C9H13N3 Molecular Weight: 163.22SMILES: CCCN1C=C(C(=C1N)C#N)CInChIKey: YXHGHIPMRPOBRH-UHFFFAOYSA-NInChI: InChI=1S/C9H13N3/c1-3-4-12-6-7(2)8(5-10)9(12)11/h6H,3-4,11H2,1-2H3
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1-Phenyl-1H-indole-3-carbaldehydeCas Number: 32542-59-9 Compound CID: 12377926IUPAC Name: 1-phenylindole-3-carbaldehydeSMILES: C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=OInChIKey: KCAGQLHYSPGZNH-UHFFFAOYSA-NInChI: InChI=1S/C15H11NO/c17-11-12-10-16(13-6-2-1-3-7-13)15-9-5-4-8-14(12)15/h1-11H
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3-(Pyrrol-3-yl)propionic acidCas Number: 134448-22-9 Compound CID: 22135411Formula: C7H9NO2 Molecular Weight: 139.154IUPAC Name: 3-(1H-pyrrol-3-yl)propanoic acidSMILES: C1=CNC=C1CCC(=O)OInChIKey: RJYXUUHRYSSIKQ-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10)
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3-(4-(Ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl)propanoic acidCas Number: 38664-16-3 Compound CID: 21728744Formula: C11H15NO4 Molecular Weight: 225.24IUPAC Name: 3-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl)propanoic acidSMILES: CCOC(=O)C1=C(NC=C1CCC(=O)O)CInChIKey: QKKNFEZKVKMSGW-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO4/c1-3-16-11(15)10-7(2)12-6-8(10)4-5-9(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
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3-(4-Fluorophenyl)-1H-indoleCas Number: 101125-32-0 Compound CID: 13448901Formula: C14H10FN Molecular Weight: 211.24IUPAC Name: 3-(4-fluorophenyl)-1H-indoleSMILES: C1=CC=C2C(=C1)C(=CN2)C3=CC=C(C=C3)FInChIKey: JFVIPMRWCFOHBG-UHFFFAOYSA-NInChI: InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
