3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one

C17H29NO2 — CID 123914939

IUPAC3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1CCCCC1CN1C(=O)C(C2CCCC2)CC1O
InChIInChI=1S/C17H29NO2/c1-12-6-2-3-9-14(12)11-18-16(19)10-15(17(18)20)13-7-4-5-8-13/h12-16,19H,2-11H2,1H3
InChIKeyKDNTUXAZZOREPK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds3

About 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one

3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 123914939) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID123914939
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1CCCCC1CN1C(=O)C(C2CCCC2)CC1O
InChIInChI=1S/C17H29NO2/c1-12-6-2-3-9-14(12)11-18-16(19)10-15(17(18)20)13-7-4-5-8-13/h12-16,19H,2-11H2,1H3
InChIKeyKDNTUXAZZOREPK-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,3aR,7aS)-3-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 10012313
3-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 12394610
[2-(Hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 14127583
(1S,trans) 1-[(2hydroxymethyl-1-cyclohexyl)-carbonyl]-pyrrolidine
CID 14127584
5-Hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one
CID 91192546
3-hydroxy-2,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 91223094
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 92978387
2-tert-butyl-3-hydroxy-5-methyl-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[c]pyrrol-1-one
CID 126548743
5-Hydroxy-1-[(4-propanoylcyclohexyl)methyl]-3-propan-2-ylpyrrolidin-2-one
CID 137409860
1-[(4-Acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one
CID 139316574
1-Ethyl-3-(10-hydroxydecyl)pyrrolidin-2-one
CID 140226184
3-(7-Hydroxyheptyl)-1-methylpyrrolidin-2-one
CID 140226257

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one (CID 123914939) is 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one is CC1CCCCC1CN1C(=O)C(C2CCCC2)CC1O.
What is the InChIKey of 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is KDNTUXAZZOREPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-6-2-3-9-14(12)11-18-16(19)10-15(17(18)20)13-7-4-5-8-13/h12-16,19H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one?
3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 279.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-hydroxy-1-[(2-methylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 123914939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).