4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one

C13H17NO2 — CID 104592328

IUPAC4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCC(CN1CC(O)CC1=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-5-3-2-4-6-11)8-14-9-12(15)7-13(14)16/h2-6,10,12,15H,7-9H2,1H3
InChIKeyPURFRCZCNWVBKR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.38
Rot. Bonds3

About 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one

4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one (PubChem CID 104592328) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
PubChem CID104592328
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
SMILESCC(CN1CC(O)CC1=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-5-3-2-4-6-11)8-14-9-12(15)7-13(14)16/h2-6,10,12,15H,7-9H2,1H3
InChIKeyPURFRCZCNWVBKR-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-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

1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039058
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
CID 113430281
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
1-(2-phenylpropyl)piperazine-2,5-dione
CID 113430277
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(3-bromo-2-phenylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511323
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one (CID 104592328) is 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one is CC(CN1CC(O)CC1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one?
The InChIKey is PURFRCZCNWVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-5-3-2-4-6-11)8-14-9-12(15)7-13(14)16/h2-6,10,12,15H,7-9H2,1H3.
What are the key properties of 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one?
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104592328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).