4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one

C13H17NO2 — CID 16755123

IUPAC4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(O)(c2ccccc2)CC1=O
InChIInChI=1S/C13H17NO2/c1-10(2)14-9-13(16,8-12(14)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyAJADQRJCUPIANL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.51
Rot. Bonds2

About 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one

4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 16755123) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID16755123
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(O)(c2ccccc2)CC1=O
InChIInChI=1S/C13H17NO2/c1-10(2)14-9-13(16,8-12(14)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyAJADQRJCUPIANL-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
5-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 211451
5-Hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
CID 3042359
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethanol
CID 10900597
3-Hydroxy-1-methyl-3-phenyl-2-piperidinone
CID 135950
7-[(R)-2-((E)-3-Hydroxy-3-methyl-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 10287121
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
(4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 13825991
(4R,5R)-5-((S)-Hydroxy-m-tolyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397897
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
CID 3046225
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, cis-
CID 3077803

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one (CID 16755123) is 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(O)(c2ccccc2)CC1=O.
What is the InChIKey of 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is AJADQRJCUPIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)14-9-13(16,8-12(14)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one?
4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 16755123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).