1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one

C13H17NO2 — CID 168702646

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(C)c(CN2CC(O)CC2=O)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-10(2)11(5-9)7-14-8-12(15)6-13(14)16/h3-5,12,15H,6-8H2,1-2H3
InChIKeyNGJQCCWKRABTKO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.40
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one

1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702646) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702646
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(C)c(CN2CC(O)CC2=O)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-10(2)11(5-9)7-14-8-12(15)6-13(14)16/h3-5,12,15H,6-8H2,1-2H3
InChIKeyNGJQCCWKRABTKO-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-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-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
tert-butyl N-[3-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]-4-methylphenyl]carbamate
CID 168701818
1-[(2,5-dimethylphenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838001
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159012
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64878987
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64879445
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106864502
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 168688256
S-[1-[(5-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705499
1-[(2,5-dimethylphenyl)methyl]piperazine-2,6-dione
CID 66062258

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one (CID 168702646) is 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one is Cc1ccc(C)c(CN2CC(O)CC2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is NGJQCCWKRABTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-10(2)11(5-9)7-14-8-12(15)6-13(14)16/h3-5,12,15H,6-8H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one?
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).