1-(3,5-dimethylphenyl)pyrrolidin-2-one

C12H15NO — CID 847897

IUPAC1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCCC2=O)c1
InChIInChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)13-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3
InChIKeyOQCOZQAALBYNRH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds1

About 1-(3,5-dimethylphenyl)pyrrolidin-2-one

1-(3,5-dimethylphenyl)pyrrolidin-2-one (PubChem CID 847897) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)pyrrolidin-2-one
PubChem CID847897
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CCCC2=O)c1
InChIInChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)13-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3
InChIKeyOQCOZQAALBYNRH-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)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-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
N-Ethyloxindole
CID 66135
N-(4-Methylphenyl)succinimide
CID 75335
Propanamide, N-ethyl-N-(3-methylphenyl)-
CID 44150680
1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741834
1-Phenylpyrrolidin-2-one
CID 78375
Butanamide, 2-ethyl-N-methyl-N-(3-methylphenyl)-
CID 57495095
4-(Chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 14698919
1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione
CID 243574
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 2099229

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)pyrrolidin-2-one (CID 847897) is 1-(3,5-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)pyrrolidin-2-one is Cc1cc(C)cc(N2CCCC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is OQCOZQAALBYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)13-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)pyrrolidin-2-one?
1-(3,5-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 847897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).