1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole

C111H121N11O6 — CID 159540509

About 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole

1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole (PubChem CID 159540509) has the molecular formula C111H121N11O6 and a molecular weight of 1705.26 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole.

Molecular Properties

• Compound Name: 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
• PubChem CID: 159540509
• Molecular Formula: C111H121N11O6
• Molecular Weight: 1705.26 g/mol
• Exact Mass: 1703.95
• IUPAC Name: 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
• SMILES: C=C1N(C)c2ccccc2C1(C)C.CC1Cc2ccccc2N1.CN1CCc2ccccc21.CN1c2ccccc2CC1c1ccccc1.O=C(O)C1Cc2ccccc2N1.O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.c1cc2c3c(c1)CCCN3CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2
• InChI: InChI=1S/C15H15N.2C12H15N.C10H9NO2.C10H11NO.C9H9NO2.3C9H11N.C8H7NO.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;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;1-2-4-8-7(3-1)5-6-9-8/h2-10,15H,11H2,1H3;1,4-5H,2-3,6-9H2;5-8H,1H2,2-4H3;1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-5H,6-7H2,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-5,9-10H;1-6,9H
• InChIKey: MEDJDZZOHBQAGK-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 227.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.26
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?

The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole (CID 159540509) is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole.

What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?

The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole is C=C1N(C)c2ccccc2C1(C)C.CC1Cc2ccccc2N1.CN1CCc2ccccc21.CN1c2ccccc2CC1c1ccccc1.O=C(O)C1Cc2ccccc2N1.O=C(O)Cc1c[nH]c2ccccc12.OCCc1c[nH]c2ccccc12.Oc1ccc2[nH]ccc2c1.c1cc2c3c(c1)CCCN3CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCCN2.

What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?

The InChIKey is MEDJDZZOHBQAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.2C12H15N.C10H9NO2.C10H11NO.C9H9NO2.3C9H11N.C8H7NO.C8H7N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;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;1-2-4-8-7(3-1)5-6-9-8/h2-10,15H,11H2,1H3;1,4-5H,2-3,6-9H2;5-8H,1H2,2-4H3;1-4,6,11H,5H2,(H,12,13);1-4,7,11-12H,5-6H2;1-4,8,10H,5H2,(H,11,12);2-5H,6-7H2,1H3;2-5,7,10H,6H2,1H3;1-2,4,6,10H,3,5,7H2;1-5,9-10H;1-6,9H.

What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole?

1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole has a molecular weight of 1705.26 g/mol, XLogP of 23.15, 6 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;1-methyl-2,3-dihydroindole;2-methyl-2,3-dihydro-1H-indole;1-methyl-2-phenyl-2,3-dihydroindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole is sourced from PubChem (CID 159540509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).