4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one

C7H11NO2 — CID 118203138

IUPAC4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one
SMILESC=CC1CNC(=O)C1CO
InChIInChI=1S/C7H11NO2/c1-2-5-3-8-7(10)6(5)4-9/h2,5-6,9H,1,3-4H2,(H,8,10)
InChIKeyHWQUMWPZWDZCHR-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.47
Rot. Bonds2

About 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one

4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 118203138) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one
PubChem CID118203138
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one
SMILESC=CC1CNC(=O)C1CO
InChIInChI=1S/C7H11NO2/c1-2-5-3-8-7(10)6(5)4-9/h2,5-6,9H,1,3-4H2,(H,8,10)
InChIKeyHWQUMWPZWDZCHR-UHFFFAOYSA-N
XLogP-0.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one 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 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one (CID 118203138) is 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one is C=CC1CNC(=O)C1CO.
What is the InChIKey of 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HWQUMWPZWDZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-5-3-8-7(10)6(5)4-9/h2,5-6,9H,1,3-4H2,(H,8,10).
What are the key properties of 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one?
4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 118203138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).