Beta propiolactone

C₃H₄O₂ — CID 2365

About Beta propiolactone

Beta propiolactone (PubChem CID 2365) has the molecular formula C₃H₄O₂ and a molecular weight of 72.06 g/mol. Its IUPAC name is oxetan-2-one.

Molecular Properties

• Compound Name: Beta propiolactone
• PubChem CID: 2365
• Molecular Formula: C₃H₄O₂
• Molecular Weight: 72.06 g/mol
• Exact Mass: 72.02
• IUPAC Name: oxetan-2-one
• SMILES: O=C1CCO1
• InChI: InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
• InChIKey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
• XLogP: -0.07
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	72.06
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Beta propiolactone?

The IUPAC name of Beta propiolactone (CID 2365) is oxetan-2-one.

What is the SMILES notation for Beta propiolactone?

The canonical SMILES for Beta propiolactone is O=C1CCO1.

What is the InChIKey of Beta propiolactone?

The InChIKey is VEZXCJBBBCKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2.

What are the key properties of Beta propiolactone?

Beta propiolactone has a molecular weight of 72.06 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Beta propiolactone is sourced from PubChem (CID 2365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2365 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3495 — approved-drug record (CC BY-SA 4.0)

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