1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone

C17H19NO — CID 101416766

IUPAC1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CCCCC1c1cn(C)c2ccccc12
InChIInChI=1S/C17H19NO/c1-12(19)13-7-3-4-8-14(13)16-11-18(2)17-10-6-5-9-15(16)17/h5-7,9-11,14H,3-4,8H2,1-2H3
InChIKeyVWEOIZZGZHDZPJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.96
Rot. Bonds2

About 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone

1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone (PubChem CID 101416766) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone
PubChem CID101416766
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CCCCC1c1cn(C)c2ccccc12
InChIInChI=1S/C17H19NO/c1-12(19)13-7-3-4-8-14(13)16-11-18(2)17-10-6-5-9-15(16)17/h5-7,9-11,14H,3-4,8H2,1-2H3
InChIKeyVWEOIZZGZHDZPJ-UHFFFAOYSA-N
XLogP3.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
1-(2-hydroxyethyl)-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116979364
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
1-ethyl-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116981002
(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
CID 53348652
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
(E)-3-cyclobutyl-3-(1-methylindol-3-yl)prop-2-enoic acid
CID 82277342
5-(1-methylindol-3-yl)-2,5-dihydropyran-6-one
CID 71739897
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone (CID 101416766) is 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone is CC(=O)C1=CCCCC1c1cn(C)c2ccccc12.
What is the InChIKey of 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone?
The InChIKey is VWEOIZZGZHDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(19)13-7-3-4-8-14(13)16-11-18(2)17-10-6-5-9-15(16)17/h5-7,9-11,14H,3-4,8H2,1-2H3.
What are the key properties of 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone?
1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylindol-3-yl)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 101416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).