2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone

C16H21NO2 — CID 111536713

IUPAC2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(C(=O)CC2(O)CCCC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-12-11-17(14-7-3-2-6-13(12)14)15(18)10-16(19)8-4-5-9-16/h2-3,6-7,12,19H,4-5,8-11H2,1H3
InChIKeyWZRLZNFIOBMSBO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds2

About 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone

2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 111536713) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID111536713
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(C(=O)CC2(O)CCCC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-12-11-17(14-7-3-2-6-13(12)14)15(18)10-16(19)8-4-5-9-16/h2-3,6-7,12,19H,4-5,8-11H2,1H3
InChIKeyWZRLZNFIOBMSBO-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513768
N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 111435585
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
CID 78889309
3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
CID 78892036
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557268
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538497

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone (CID 111536713) is 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone is CC1CN(C(=O)CC2(O)CCCC2)c2ccccc21.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WZRLZNFIOBMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-11-17(14-7-3-2-6-13(12)14)15(18)10-16(19)8-4-5-9-16/h2-3,6-7,12,19H,4-5,8-11H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 111536713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).