5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide

C14H16N2O2 — CID 110406517

IUPAC5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-10-15-14(18)12-8-9-13(17)16(12)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18)
InChIKeyFXDPJQGJOHDVQC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.48
Rot. Bonds4

About 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide

5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 110406517) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID110406517
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-10-15-14(18)12-8-9-13(17)16(12)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18)
InChIKeyFXDPJQGJOHDVQC-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-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-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1-phenylpyrrolidine-2-carboxamide
CID 110608828
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110622654
5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 110607112

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide (CID 110406517) is 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is FXDPJQGJOHDVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-10-15-14(18)12-8-9-13(17)16(12)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18).
What are the key properties of 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide?
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110406517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).