(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide

C12H14N2O2 — CID 129405236

IUPAC(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC[C@@H](C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O2/c1-14-8-7-10(12(14)16)11(15)13-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCZAFRPAWXPIKEV-JTQLQIEISA-N
MW218.26 g/mol
LogP1.10
Rot. Bonds2

About (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide

(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 129405236) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID129405236
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC[C@@H](C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C12H14N2O2/c1-14-8-7-10(12(14)16)11(15)13-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyCZAFRPAWXPIKEV-JTQLQIEISA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-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

N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
CID 123664942
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 86798672
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
bis(4-imino-1-methyl-N-phenylpiperidine-3-carboxamide);trihydrochloride
CID 163331700
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
1-[(2R)-1-amino-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134531
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide (CID 129405236) is (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide is CN1CC[C@@H](C(=O)Nc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is CZAFRPAWXPIKEV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-8-7-10(12(14)16)11(15)13-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 129405236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).