3-ethenyloxiran-2-one

C4H4O2 — CID 19389249

IUPAC3-ethenyloxiran-2-one
SMILESC=CC1OC1=O
InChIInChI=1S/C4H4O2/c1-2-3-4(5)6-3/h2-3H,1H2
InChIKeyIVDNNHOCRSWHMJ-UHFFFAOYSA-N
MW84.07 g/mol
LogP0.10
Rot. Bonds1

About 3-ethenyloxiran-2-one

3-ethenyloxiran-2-one (PubChem CID 19389249) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is 3-ethenyloxiran-2-one.

Molecular Properties

Compound Name3-ethenyloxiran-2-one
PubChem CID19389249
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name3-ethenyloxiran-2-one
SMILESC=CC1OC1=O
InChIInChI=1S/C4H4O2/c1-2-3-4(5)6-3/h2-3H,1H2
InChIKeyIVDNNHOCRSWHMJ-UHFFFAOYSA-N
XLogP0.10
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenyloxiran-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

Related Compounds

3-But-1-enyloxiran-2-one
CID 57280751
3-Prop-1-enyloxiran-2-one
CID 140350626
3-ethenyl(214C)oxiran-2-one
CID 173037477
3-Prop-2-enyloxiran-2-one
CID 119096442

Frequently Asked Questions

What is the IUPAC name of 3-ethenyloxiran-2-one?
The IUPAC name of 3-ethenyloxiran-2-one (CID 19389249) is 3-ethenyloxiran-2-one.
What is the SMILES notation for 3-ethenyloxiran-2-one?
The canonical SMILES for 3-ethenyloxiran-2-one is C=CC1OC1=O.
What is the InChIKey of 3-ethenyloxiran-2-one?
The InChIKey is IVDNNHOCRSWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c1-2-3-4(5)6-3/h2-3H,1H2.
What are the key properties of 3-ethenyloxiran-2-one?
3-ethenyloxiran-2-one has a molecular weight of 84.07 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxiran-2-one is sourced from PubChem (CID 19389249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).