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

C9H11NO3 — CID 67876141

IUPAC3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid
SMILESC=CN1CCC(C=CC(=O)O)C1=O
InChIInChI=1S/C9H11NO3/c1-2-10-6-5-7(9(10)13)3-4-8(11)12/h2-4,7H,1,5-6H2,(H,11,12)
InChIKeySHASOALDZPVNFI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.62
Rot. Bonds3

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

3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid (PubChem CID 67876141) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid
PubChem CID67876141
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid
SMILESC=CN1CCC(C=CC(=O)O)C1=O
InChIInChI=1S/C9H11NO3/c1-2-10-6-5-7(9(10)13)3-4-8(11)12/h2-4,7H,1,5-6H2,(H,11,12)
InChIKeySHASOALDZPVNFI-UHFFFAOYSA-N
XLogP0.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-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 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid?
The IUPAC name of 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid (CID 67876141) is 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid?
The canonical SMILES for 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid is C=CN1CCC(C=CC(=O)O)C1=O.
What is the InChIKey of 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid?
The InChIKey is SHASOALDZPVNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-10-6-5-7(9(10)13)3-4-8(11)12/h2-4,7H,1,5-6H2,(H,11,12).
What are the key properties of 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid?
3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 67876141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).