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Indoles and derivatives
Description:
Organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Ancestors:
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5-(trifluoromethyl)indoline-2，3-dioneCas Number: 345-32-4 Compound CID: 12351496Formula: C9H4F3NO2 Molecular Weight: 215.13IUPAC Name: 5-(trifluoromethyl)-1H-indole-2,3-dioneSMILES: C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=O)N2InChIKey: WODYULWWVAMDCP-UHFFFAOYSA-NInChI: InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15) -
4-Fluoro-3-(piperidin-4-yl)-1H-indoleCas Number: 173150-61-3 Compound CID: 15337634Formula: C13H15FN2 Molecular Weight: 218.275IUPAC Name: 4-fluoro-3-piperidin-4-yl-1H-indoleSMILES: C1CNCCC1C2=CNC3=C2C(=CC=C3)FInChIKey: DEIYMTQMNDLJHX-UHFFFAOYSA-NInChI: InChI=1S/C13H15FN2/c14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h1-3,8-9,15-16H,4-7H2
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3-Bromo-1-methyl-1H-indole-2-carboxylic acidCas Number: 499983-77-6 Compound CID: 15290332Formula: C10H8BrNO2 Molecular Weight: 254.09IUPAC Name: 3-bromo-1-methylindole-2-carboxylic acidSMILES: CN1C2=CC=CC=C2C(=C1C(=O)O)BrInChIKey: IJYYDLASNYBAOR-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)
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3-Bromo-4-nitroindoleCas Number: 126807-08-7 Compound CID: 14707933Formula: C8H5BrN2O2 Molecular Weight: 241.05IUPAC Name: 3-bromo-4-nitro-1H-indoleSMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)BrInChIKey: VYQRPDVMVMLVHA-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrN2O2/c9-5-4-10-6-2-1-3-7(8(5)6)11(12)13/h1-4,10H
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3-(Indolin-1-yl)propan-1-amineCas Number: 61123-70-4 Compound CID: 6483816Formula: C11H16N2 Molecular Weight: 176.26IUPAC Name: 3-(2,3-dihydroindol-1-yl)propan-1-amineSMILES: C1CN(C2=CC=CC=C21)CCCNInChIKey: NRUUORGEWIRLJT-UHFFFAOYSA-NInChI: InChI=1S/C11H16N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-5H,3,6-9,12H2
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3-(Trifluoromethyl)-1H-indoleCas Number: 51310-55-5 Compound CID: 13152885Formula: C9H6F3N Molecular Weight: 185.15IUPAC Name: 3-(trifluoromethyl)-1H-indoleSMILES: C1=CC=C2C(=C1)C(=CN2)C(F)(F)FInChIKey: CLSZROKTPWVQKB-UHFFFAOYSA-NInChI: InChI=1S/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H
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3-(4-Hydroxybutyl)-1H-Indole-5-CarbonitrileCas Number: 914927-40-5 Compound CID: 12150985Formula: C13H14N2O Molecular Weight: 214.26IUPAC Name: 3-(4-hydroxybutyl)-1H-indole-5-carbonitrileSMILES: C1=CC2=C(C=C1C#N)C(=CN2)CCCCOInChIKey: BZXNEONCFZGWDS-UHFFFAOYSA-NInChI: InChI=1S/C13H14N2O/c14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16/h4-5,7,9,15-16H,1-3,6H2
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3-(4-Chloro-1-oxobutyl)indole-5-carbonitrileCas Number: 276863-95-7 Compound CID: 10220528Formula: C13H11ClN2O Molecular Weight: 246.69IUPAC Name: 3-(4-chlorobutanoyl)-1H-indole-5-carbonitrileSMILES: C1=CC2=C(C=C1C#N)C(=CN2)C(=O)CCCClInChIKey: DFORIOBMTPKWPE-UHFFFAOYSA-NInChI: InChI=1S/C13H11ClN2O/c14-5-1-2-13(17)11-8-16-12-4-3-9(7-15)6-10(11)12/h3-4,6,8,16H,1-2,5H2
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3-((1H-Indol-2-yl)methyl)-1H-indoleCas Number: 114648-66-7 Compound CID: 10900930Formula: C17H14N2 Molecular Weight: 246.31IUPAC Name: 2-(1H-indol-3-ylmethyl)-1H-indoleSMILES: C1=CC=C2C(=C1)C=C(N2)CC3=CNC4=CC=CC=C43InChIKey: SHXKYUYEFDONQC-UHFFFAOYSA-NInChI: InChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
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3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acidCas Number: 129689-88-9 Compound CID: 2443013Formula: C12H15NO3 Molecular Weight: 221.26IUPAC Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acidSMILES: CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)OInChIKey: CJGCOACZBXRIAE-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO3/c1-6-9-7(13-10(6)11(15)16)4-12(2,3)5-8(9)14/h13H,4-5H2,1-3H3,(H,15,16)
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3-(1-Methyl-4-piperidinyl)indoleCas Number: 17403-07-5 Compound CID: 11206672IUPAC Name: 3-(1-methylpiperidin-4-yl)-1H-indoleSMILES: CN1CCC(CC1)C2=CNC3=CC=CC=C32InChIKey: KYSCKYJNMTUJPA-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
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3-(1H-Indol-5-yl)propanoic acidCas Number: 192717-19-4 Compound CID: 22100892Formula: C11H11NO2 Molecular Weight: 189.21IUPAC Name: 3-(1H-indol-5-yl)propanoic acidSMILES: C1=CC2=C(C=CN2)C=C1CCC(=O)OInChIKey: QLLLZURKPNGXFF-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-10-9(7-8)5-6-12-10/h1,3,5-7,12H,2,4H2,(H,13,14)
