oxetan-2-one

C3H4O2 — CID 2365

💊View drug profile → propiolactone
IUPACoxetan-2-one
SMILESO=C1CCO1
InChIInChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
InChIKeyVEZXCJBBBCKRPI-UHFFFAOYSA-N
MW72.06 g/mol
LogP-0.07
Rot. Bonds

About oxetan-2-one

oxetan-2-one (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 Nameoxetan-2-one
PubChem CID2365
Molecular FormulaC3H4O2
Molecular Weight72.06 g/mol
Exact Mass72.02
IUPAC Nameoxetan-2-one
SMILESO=C1CCO1
InChIInChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
InChIKeyVEZXCJBBBCKRPI-UHFFFAOYSA-N
XLogP-0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.06
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Oxetanone, 3-methyl-
CID 10214378
(s)-3-Methyl-2-oxetanone
CID 12571991
3-Fluorooxetan-2-one
CID 85712861
(3R)-3-methyloxetan-2-one
CID 642776
Betapropiolactone borhydride
CID 129672136
(3S)-3-fluorooxetan-2-one
CID 102065200
Ethenone;oxetan-2-one
CID 18348212
Oxetane-3-carboxylate
CID 19847185
Cyclopropane;oxetan-2-one
CID 53898104
Ethane;oxetan-2-one
CID 53901098
CID 59606816
CID 59606816
4-Phosphanyloxetan-2-one
CID 89643107

Frequently Asked Questions

What is the IUPAC name of oxetan-2-one?
The IUPAC name of oxetan-2-one (CID 2365) is oxetan-2-one.
What is the SMILES notation for oxetan-2-one?
The canonical SMILES for oxetan-2-one is O=C1CCO1.
What is the InChIKey of oxetan-2-one?
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 oxetan-2-one?
oxetan-2-one 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 oxetan-2-one is sourced from PubChem (CID 2365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).