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

C10H13NO3 — CID 66830791

IUPAC3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid
SMILESC=CC1CCN(C=C(C)C(=O)O)C1=O
InChIInChI=1S/C10H13NO3/c1-3-8-4-5-11(9(8)12)6-7(2)10(13)14/h3,6,8H,1,4-5H2,2H3,(H,13,14)
InChIKeyBMHYANINPIUIBM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds3

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

3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid (PubChem CID 66830791) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid
PubChem CID66830791
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid
SMILESC=CC1CCN(C=C(C)C(=O)O)C1=O
InChIInChI=1S/C10H13NO3/c1-3-8-4-5-11(9(8)12)6-7(2)10(13)14/h3,6,8H,1,4-5H2,2H3,(H,13,14)
InChIKeyBMHYANINPIUIBM-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-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-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid (CID 66830791) is 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid is C=CC1CCN(C=C(C)C(=O)O)C1=O.
What is the InChIKey of 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid?
The InChIKey is BMHYANINPIUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-8-4-5-11(9(8)12)6-7(2)10(13)14/h3,6,8H,1,4-5H2,2H3,(H,13,14).
What are the key properties of 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid?
3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 66830791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).