5-ethenylpyrrolidin-3-one

C6H9NO — CID 57315955

IUPAC5-ethenylpyrrolidin-3-one
SMILESC=CC1CC(=O)CN1
InChIInChI=1S/C6H9NO/c1-2-5-3-6(8)4-7-5/h2,5,7H,1,3-4H2
InChIKeyXDMSQGUXVBMPOO-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.10
Rot. Bonds1

About 5-ethenylpyrrolidin-3-one

5-ethenylpyrrolidin-3-one (PubChem CID 57315955) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5-ethenylpyrrolidin-3-one.

Molecular Properties

Compound Name5-ethenylpyrrolidin-3-one
PubChem CID57315955
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5-ethenylpyrrolidin-3-one
SMILESC=CC1CC(=O)CN1
InChIInChI=1S/C6H9NO/c1-2-5-3-6(8)4-7-5/h2,5,7H,1,3-4H2
InChIKeyXDMSQGUXVBMPOO-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenylpyrrolidin-3-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 5-ethenylpyrrolidin-3-one?
The IUPAC name of 5-ethenylpyrrolidin-3-one (CID 57315955) is 5-ethenylpyrrolidin-3-one.
What is the SMILES notation for 5-ethenylpyrrolidin-3-one?
The canonical SMILES for 5-ethenylpyrrolidin-3-one is C=CC1CC(=O)CN1.
What is the InChIKey of 5-ethenylpyrrolidin-3-one?
The InChIKey is XDMSQGUXVBMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-6(8)4-7-5/h2,5,7H,1,3-4H2.
What are the key properties of 5-ethenylpyrrolidin-3-one?
5-ethenylpyrrolidin-3-one has a molecular weight of 111.14 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylpyrrolidin-3-one is sourced from PubChem (CID 57315955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).