1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone

C16H21NO — CID 115106159

IUPAC1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1CCN2CC1CCCC1
InChIInChI=1S/C16H21NO/c1-12(18)14-7-4-8-16-15(14)9-10-17(16)11-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3
InChIKeyWSTBSDQWFBNURC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone

1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone (PubChem CID 115106159) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone
PubChem CID115106159
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone
SMILESCC(=O)c1cccc2c1CCN2CC1CCCC1
InChIInChI=1S/C16H21NO/c1-12(18)14-7-4-8-16-15(14)9-10-17(16)11-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3
InChIKeyWSTBSDQWFBNURC-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-4-yl]ethanone
CID 115106162
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
CID 115106081
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-7-yl]ethanone
CID 115105692
2-methyl-3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-4-yl]propanoic acid
CID 115106195
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
CID 115106109
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 115106375
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone?
The IUPAC name of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone (CID 115106159) is 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone is CC(=O)c1cccc2c1CCN2CC1CCCC1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone?
The InChIKey is WSTBSDQWFBNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(18)14-7-4-8-16-15(14)9-10-17(16)11-13-5-2-3-6-13/h4,7-8,13H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone?
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone has a molecular weight of 243.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-4-yl]ethanone is sourced from PubChem (CID 115106159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).