1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C13H16N2O2 — CID 4963914

IUPAC1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-2-4-10(5-3-9)7-15-8-11(13(14)17)6-12(15)16/h2-5,11H,6-8H2,1H3,(H2,14,17)
InChIKeyARRHOLBJZKECMI-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.83
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4963914) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4963914
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-2-4-10(5-3-9)7-15-8-11(13(14)17)6-12(15)16/h2-5,11H,6-8H2,1H3,(H2,14,17)
InChIKeyARRHOLBJZKECMI-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide 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

5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696082
(3S)-N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95313891
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
1-[(4-methylphenyl)methyl]-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 78784451
N-methoxymethanamine;methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 123682959
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
phenyl (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8765157
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 119379101
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
1-[[4-(aminomethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691470

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4963914) is 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(N)=O)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ARRHOLBJZKECMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-2-4-10(5-3-9)7-15-8-11(13(14)17)6-12(15)16/h2-5,11H,6-8H2,1H3,(H2,14,17).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4963914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).