2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid

C10H13NO3 — CID 70223075

IUPAC2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid
SMILESC=CC(C=C)(C(=O)O)N1CCCC1=O
InChIInChI=1S/C10H13NO3/c1-3-10(4-2,9(13)14)11-7-5-6-8(11)12/h3-4H,1-2,5-7H2,(H,13,14)
InChIKeyAJBGGNFLEGBMPY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.80
Rot. Bonds4

About 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid

2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid (PubChem CID 70223075) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid.

Molecular Properties

Compound Name2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid
PubChem CID70223075
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid
SMILESC=CC(C=C)(C(=O)O)N1CCCC1=O
InChIInChI=1S/C10H13NO3/c1-3-10(4-2,9(13)14)11-7-5-6-8(11)12/h3-4H,1-2,5-7H2,(H,13,14)
InChIKeyAJBGGNFLEGBMPY-UHFFFAOYSA-N
XLogP0.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid?
The IUPAC name of 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid (CID 70223075) is 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid.
What is the SMILES notation for 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid?
The canonical SMILES for 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid is C=CC(C=C)(C(=O)O)N1CCCC1=O.
What is the InChIKey of 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid?
The InChIKey is AJBGGNFLEGBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-10(4-2,9(13)14)11-7-5-6-8(11)12/h3-4H,1-2,5-7H2,(H,13,14).
What are the key properties of 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid?
2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-(2-oxopyrrolidin-1-yl)but-3-enoic acid is sourced from PubChem (CID 70223075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).