1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one

C13H23NO2 — CID 165497426

IUPAC1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1CCC(O)CC1N1CC(C)(C)CC1=O
InChIInChI=1S/C13H23NO2/c1-9-4-5-10(15)6-11(9)14-8-13(2,3)7-12(14)16/h9-11,15H,4-8H2,1-3H3
InChIKeyOPZRVIKJZDSDLI-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.79
Rot. Bonds1

About 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one

1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one (PubChem CID 165497426) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one
PubChem CID165497426
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1CCC(O)CC1N1CC(C)(C)CC1=O
InChIInChI=1S/C13H23NO2/c1-9-4-5-10(15)6-11(9)14-8-13(2,3)7-12(14)16/h9-11,15H,4-8H2,1-3H3
InChIKeyOPZRVIKJZDSDLI-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165491669
3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
CID 165497273
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 165491160
(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one
CID 130756852
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
ethane;1,4,4-trimethylpyrrolidin-2-one
CID 171091773
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321907
3-methoxy-4-methylcyclohexan-1-ol
CID 89006966
4-methyl-3-(2-propan-2-ylimidazol-1-yl)cyclohexan-1-ol
CID 165491765

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one (CID 165497426) is 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one is CC1CCC(O)CC1N1CC(C)(C)CC1=O.
What is the InChIKey of 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one?
The InChIKey is OPZRVIKJZDSDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-4-5-10(15)6-11(9)14-8-13(2,3)7-12(14)16/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one?
1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 165497426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).