4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid

C12H12N2O3 — CID 168686329

IUPAC4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESC=CC1CC(=O)N(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H12N2O3/c1-2-8-5-11(15)14(7-8)9-3-4-13-10(6-9)12(16)17/h2-4,6,8H,1,5,7H2,(H,16,17)
InChIKeyYPQOCXNIKBMZRC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.32
Rot. Bonds3

About 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid

4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 168686329) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID168686329
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESC=CC1CC(=O)N(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H12N2O3/c1-2-8-5-11(15)14(7-8)9-3-4-13-10(6-9)12(16)17/h2-4,6,8H,1,5,7H2,(H,16,17)
InChIKeyYPQOCXNIKBMZRC-UHFFFAOYSA-N
XLogP1.32
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid 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-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168686328
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168684351
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
CID 168686542
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 168686329) is 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid is C=CC1CC(=O)N(c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is YPQOCXNIKBMZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-8-5-11(15)14(7-8)9-3-4-13-10(6-9)12(16)17/h2-4,6,8H,1,5,7H2,(H,16,17).
What are the key properties of 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid?
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 168686329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).