1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one

C13H23NO2 — CID 3095705

IUPAC1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3
InChIKeyFOODFMPGWHYOEN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.29
Rot. Bonds1

About 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one

1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (PubChem CID 3095705) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
PubChem CID3095705
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3
InChIKeyFOODFMPGWHYOEN-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,3-Tetramethyl-2-hydroxy-5-pyrrolidone
CID 129782583
3,3-Ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one
CID 123754717
5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one
CID 134414938
(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 149006376
5-Hydroxy-5-methyl-1-pentan-2-ylpyrrolidin-2-one
CID 156369254
(5R)-1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
CID 763061
(5S)-1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
CID 763063
4-[Cyclohexyl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 43437417
4-[Cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 43437432
2,2-Diethyl-4-(2-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 54882574
2,2-Diethyl-4-(2-ethylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 54882722
3,3-Diethyl-1-(4-hydroxycyclohexyl)pyrrolidine-2,5-dione
CID 61208882

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (CID 3095705) is 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is CC1(C)CC(=O)N(C2CCCCC2)C1(C)O.
What is the InChIKey of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The InChIKey is FOODFMPGWHYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 3095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).