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Substituted pyrroles
Description:
Heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
Ancestors:
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(5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acidCas Number: 860617-71-6 Compound CID: 11708078Formula: C6H7BN2O2 Molecular Weight: 149.94IUPAC Name: (5-cyano-1-methylpyrrol-2-yl)boronic acidSMILES: B(C1=CC=C(N1C)C#N)(O)OInChIKey: CMPMUHFINOXALE-UHFFFAOYSA-NInChI: InChI=1S/C6H7BN2O2/c1-9-5(4-8)2-3-6(9)7(10)11/h2-3,10-11H,1H3 -
1H-pyrrole-2-carbonitrileCas Number: 4513-94-4Formula: C5H4N2 Molecular Weight: 92.1IUPAC Name: 1H-pyrrole-2-carbonitrileSMILES: C1=CNC(=C1)C#NInChIKey: BQMPGKPTOHKYHS-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7HSynonyms: Pyrrole-2-carbonitrile | 2-Cyanopyrrole | NSC 10605
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3-Methyl-3-(1H-pyrrol-1-yl)butanoic acidCas Number: 395090-68-3 Compound CID: 2761125Formula: C9H13NO2 Molecular Weight: 167.21IUPAC Name: 3-methyl-3-pyrrol-1-ylbutanoic acidSMILES: CC(C)(CC(=O)O)N1C=CC=C1InChIKey: FVUKITSPMXBMLI-UHFFFAOYSA-NInChI: InChI=1S/C9H13NO2/c1-9(2,7-8(11)12)10-5-3-4-6-10/h3-6H,7H2,1-2H3,(H,11,12)
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3-Phenyl-1H-indoleCas Number: 1504-16-1 Compound CID: 96502Formula: C14H11N Molecular Weight: 193.24IUPAC Name: 3-phenyl-1H-indoleSMILES: C1=CC=C(C=C1)C2=CNC3=CC=CC=C32InChIKey: XZNGTBLWFCRXKR-UHFFFAOYSA-NInChI: InChI=1S/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15H
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3-(1H-Pyrrol-1-yl)benzoic acidCas Number: 61471-45-2 Compound CID: 736537Formula: C11H9NO2 Molecular Weight: 187.2IUPAC Name: 3-pyrrol-1-ylbenzoic acidSMILES: C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OInChIKey: PODFNQCZFHLJPH-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,(H,13,14)
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2，5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROLECas Number: 5044-22-4 Compound CID: 459085Formula: C12H12N2O2 Molecular Weight: 216.24IUPAC Name: 2,5-dimethyl-1-(4-nitrophenyl)pyrroleSMILES: CC1=CC=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CInChIKey: JXJRCFOGAIXRCU-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3
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2-amino-1-benzyl-4，5-dimethyl-1H-pyrrole-3-carbonitrileCas Number: 55817-72-6 Compound CID: 2763308Formula: C14H15N3 Molecular Weight: 225.3IUPAC Name: 2-amino-1-benzyl-4,5-dimethylpyrrole-3-carbonitrileSMILES: CC1=C(N(C(=C1C#N)N)CC2=CC=CC=C2)CInChIKey: RJDOFGRDZKVLTM-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3/c1-10-11(2)17(14(16)13(10)8-15)9-12-6-4-3-5-7-12/h3-7H,9,16H2,1-2H3
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2-Amino-1-benzyl-4，5-diphenyl-1H-pyrrole-3-carbonitrileCas Number: 55817-67-9 Compound CID: 2764501Formula: C24H19N3 Molecular Weight: 349.44IUPAC Name: 2-amino-1-benzyl-4,5-diphenylpyrrole-3-carbonitrileSMILES: C1=CC=C(C=C1)CN2C(=C(C(=C2N)C#N)C3=CC=CC=C3)C4=CC=CC=C4InChIKey: GXIMOGHICAZEKA-UHFFFAOYSA-NInChI: InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2
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SiramesineCas Number: 147817-50-3 Compound CID: 9829526IUPAC Name: 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]SMILES: C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)FInChIKey: XWAONOGAGZNUSF-UHFFFAOYSA-NInChI: show more
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PyrrolnitrinIUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrroleSMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2ClInChIKey: QJBZDBLBQWFTPZ-UHFFFAOYSA-NInChI: InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
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Methyl 4-(2，5-dimethyl-1H-pyrrol-1-yl)benzoateCas Number: 26165-66-2 Compound CID: 738398Formula: C14H15NO2 Molecular Weight: 229.27IUPAC Name: methyl 4-(2,5-dimethylpyrrol-1-yl)benzoateSMILES: CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC)CInChIKey: FFRKCMKOLMHBCM-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO2/c1-10-4-5-11(2)15(10)13-8-6-12(7-9-13)14(16)17-3/h4-9H,1-3H3
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Methyl 2-(1H-pyrrol-1-yl)benzoateCas Number: 10333-67-2 Compound CID: 2776733Formula: C12H11NO2 Molecular Weight: 201.22IUPAC Name: methyl 2-pyrrol-1-ylbenzoateSMILES: COC(=O)C1=CC=CC=C1N2C=CC=C2InChIKey: KUEYSLOCROREKF-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h2-9H,1H3
