4-ethenyloxolan-2-one

C6H8O2 — CID 10866294

IUPAC4-ethenyloxolan-2-one
SMILESC=CC1COC(=O)C1
InChIInChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h2,5H,1,3-4H2
InChIKeyAUJAAMXYEHZSLP-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds1

About 4-ethenyloxolan-2-one

4-ethenyloxolan-2-one (PubChem CID 10866294) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-ethenyloxolan-2-one.

Molecular Properties

Compound Name4-ethenyloxolan-2-one
PubChem CID10866294
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-ethenyloxolan-2-one
SMILESC=CC1COC(=O)C1
InChIInChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h2,5H,1,3-4H2
InChIKeyAUJAAMXYEHZSLP-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyloxolan-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-ethenyloxolan-2-one?
The IUPAC name of 4-ethenyloxolan-2-one (CID 10866294) is 4-ethenyloxolan-2-one.
What is the SMILES notation for 4-ethenyloxolan-2-one?
The canonical SMILES for 4-ethenyloxolan-2-one is C=CC1COC(=O)C1.
What is the InChIKey of 4-ethenyloxolan-2-one?
The InChIKey is AUJAAMXYEHZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-3-6(7)8-4-5/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyloxolan-2-one?
4-ethenyloxolan-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyloxolan-2-one is sourced from PubChem (CID 10866294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).