2-cyclohexyl-1-(1-methylindol-3-yl)ethanone

C17H21NO — CID 43161950

IUPAC2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H21NO/c1-18-12-15(14-9-5-6-10-16(14)18)17(19)11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyDDXDOSKVADRCGC-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.33
Rot. Bonds3

About 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone

2-cyclohexyl-1-(1-methylindol-3-yl)ethanone (PubChem CID 43161950) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
PubChem CID43161950
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H21NO/c1-18-12-15(14-9-5-6-10-16(14)18)17(19)11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyDDXDOSKVADRCGC-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
CID 103162400
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
CID 116546935
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone (CID 43161950) is 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CC2CCCCC2)c2ccccc21.
What is the InChIKey of 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone?
The InChIKey is DDXDOSKVADRCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18-12-15(14-9-5-6-10-16(14)18)17(19)11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone?
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 43161950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).