1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone

C16H19NO2 — CID 71036998

IUPAC1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C16H19NO2/c18-10-16(19)12-6-7-13-14(9-17-15(13)8-12)11-4-2-1-3-5-11/h6-9,11,17-18H,1-5,10H2
InChIKeyCMKCEIITERGSOR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone

1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone (PubChem CID 71036998) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
PubChem CID71036998
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(C3CCCCC3)c[nH]c2c1
InChIInChI=1S/C16H19NO2/c18-10-16(19)12-6-7-13-14(9-17-15(13)8-12)11-4-2-1-3-5-11/h6-9,11,17-18H,1-5,10H2
InChIKeyCMKCEIITERGSOR-UHFFFAOYSA-N
XLogP3.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560913
3-cyclopentyl-6-propan-2-yl-1H-indole
CID 143161751
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
N-tert-butyl-3-cyclohexyl-1H-indole-6-sulfonamide
CID 23152417
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
1-(3-chloro-1H-indol-6-yl)propan-1-one
CID 69029999
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
3-cyclohexyl-5-nitro-1H-indole
CID 90152657
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone (CID 71036998) is 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone is O=C(CO)c1ccc2c(C3CCCCC3)c[nH]c2c1.
What is the InChIKey of 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone?
The InChIKey is CMKCEIITERGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-10-16(19)12-6-7-13-14(9-17-15(13)8-12)11-4-2-1-3-5-11/h6-9,11,17-18H,1-5,10H2.
What are the key properties of 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone?
1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone has a molecular weight of 257.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone is sourced from PubChem (CID 71036998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).