1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid

C30H32N2O4 — CID 68560913

IUPAC1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1.O=C(O)c1ccc2ccn(C3CC=CCC3)c2c1
InChIInChI=1S/C15H17NO2.C15H15NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h6-10,16H,1-5H2,(H,17,18);1-2,6-10,13H,3-5H2,(H,17,18)
InChIKeyDPAPMWYNUYLZPK-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.53
Rot. Bonds4

About 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid

1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid (PubChem CID 68560913) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
PubChem CID68560913
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1.O=C(O)c1ccc2ccn(C3CC=CCC3)c2c1
InChIInChI=1S/C15H17NO2.C15H15NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h6-10,16H,1-5H2,(H,17,18);1-2,6-10,13H,3-5H2,(H,17,18)
InChIKeyDPAPMWYNUYLZPK-UHFFFAOYSA-N
XLogP7.53
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
CID 71036998
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
1-cyclobutylindole-5-carboxylic acid
CID 115115226
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
3-cyclopentyl-6-propan-2-yl-1H-indole
CID 143161751
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide
CID 157341268
3-(1-cyclohexylindol-6-yl)propanoic acid
CID 117118637
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
1-(4-carboxybutyl)-3-cyclohexylindole-6-carboxylic acid
CID 56590629

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The IUPAC name of 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid (CID 68560913) is 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c[nH]c2c1.O=C(O)c1ccc2ccn(C3CC=CCC3)c2c1.
What is the InChIKey of 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
The InChIKey is DPAPMWYNUYLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C15H15NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h6-10,16H,1-5H2,(H,17,18);1-2,6-10,13H,3-5H2,(H,17,18).
What are the key properties of 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid?
1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid has a molecular weight of 484.60 g/mol, XLogP of 7.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 68560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).