4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C17H25NO2 — CID 68806012

IUPAC4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyODCNYRKYFRNLES-SLTAFYQDSA-N
MW275.39 g/mol
LogP3.00
Rot. Bonds6

About 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 68806012) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID68806012
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyODCNYRKYFRNLES-SLTAFYQDSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]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

(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]propanal
CID 163433479
S-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168665932
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
CID 168698922
4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
CID 168661723
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 68806012) is 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is CC(CCO)CC1CC(=O)N([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is ODCNYRKYFRNLES-SLTAFYQDSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(8-9-19)10-15-11-17(20)18(12-15)14(2)16-6-4-3-5-7-16/h3-7,13-15,19H,8-12H2,1-2H3/t13?,14-,15?/m0/s1.
What are the key properties of 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 68806012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).