2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole

C97H106N10O4 — CID 158979747

IUPAC2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole
SMILESC1=CC2CCNC2C=C1.CC1Cc2ccccc2N1.C[C@H]1N(C)c2ccccc2C1(C)C.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H13N.C12H17N.C10H11NO.C9H9NO2.C9H9N.2C9H11N.C8H7NO.C8H11N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-7-1-2-8-6(5-7)3-4-9-8;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-9H,1-4H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-5,9-10H;1-4,7-9H,5-6H2;1-6,9H/t;9-;;;;;;;;/m.1......../s1
InChIKeyJOVPDJRPRHPUJA-WWUIMGSLSA-N
MW1475.98 g/mol
LogP20.86
Rot. Bonds4

About 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole

2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole (PubChem CID 158979747) has the molecular formula C97H106N10O4 and a molecular weight of 1475.98 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole
PubChem CID158979747
Molecular FormulaC97H106N10O4
Molecular Weight1475.98 g/mol
Exact Mass1474.84
IUPAC Name2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole
SMILESC1=CC2CCNC2C=C1.CC1Cc2ccccc2N1.C[C@H]1N(C)c2ccccc2C1(C)C.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H13N.C12H17N.C10H11NO.C9H9NO2.C9H9N.2C9H11N.C8H7NO.C8H11N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-7-1-2-8-6(5-7)3-4-9-8;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-9H,1-4H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-5,9-10H;1-4,7-9H,5-6H2;1-6,9H/t;9-;;;;;;;;/m.1......../s1
InChIKeyJOVPDJRPRHPUJA-WWUIMGSLSA-N
XLogP20.86
TPSA186.35 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.98
LogP ≤ 520.86
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole with MolForge

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Launch Full Analysis

Related Compounds

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CID 155538365
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CID 16186157
NH2-Phe-Lys-Leu-Pro-Ile-Gln-Lys-Glu-Thr-Trp-Glu-Thr-Trp-Trp-Thr-Glu-Tyr-Trp-Glu-COOH & NH2-Gln-Lys-Gln-Gly-Gln-Gly-Gln-Trp-Thr-Tyr-Gln-Ile-Tyr-Gln-Glu-Pro-COOH
CID 16186158
NH2-Phe-Lys-Leu-Pro-Ile-Gln-Lys-Glu-Thr-Trp-Glu-Thr-Trp-Trp-Thr-Glu-Tyr-Trp-Glu-COOH & NH2-Asp-Val-Lys-Gln-Leu-Thr-Glu-Ala-Val-Gln-Lys-Ile-Thr-Thr-Glu-Ser-Ile-COOH
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Sqtqqekneqelleldkwaslwnwfditnwlwyi
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CID 86573020

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole (CID 158979747) is 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole is C1=CC2CCNC2C=C1.CC1Cc2ccccc2N1.C[C@H]1N(C)c2ccccc2C1(C)C.Cn1c(-c2ccccc2)cc2ccccc21.Cn1ccc2ccccc21.O=C(O)C1Cc2ccccc2N1.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole?
The InChIKey is JOVPDJRPRHPUJA-WWUIMGSLSA-N. The full InChI is InChI=1S/C15H13N.C12H17N.C10H11NO.C9H9NO2.C9H9N.2C9H11N.C8H7NO.C8H11N.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;12-6-5-8-7-11-10-4-2-1-3-9(8)10;11-9(12)8-5-6-3-1-2-4-7(6)10-8;1-10-7-6-8-4-2-3-5-9(8)10;1-7-6-8-4-2-3-5-9(8)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-7-1-2-8-6(5-7)3-4-9-8;2*1-2-4-8-7(3-1)5-6-9-8/h2-11H,1H3;5-9H,1-4H3;1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-7H,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-5,9-10H;1-4,7-9H,5-6H2;1-6,9H/t;9-;;;;;;;;/m.1......../s1.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole?
2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole has a molecular weight of 1475.98 g/mol, XLogP of 20.86, 4 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)ethanol;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;(2R)-1,2,3,3-tetramethyl-2H-indole is sourced from PubChem (CID 158979747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).