3-ethyloxiran-2-one

C4H6O2 — CID 21297762

IUPAC3-ethyloxiran-2-one
SMILESCCC1OC1=O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h3H,2H2,1H3
InChIKeyZOMPBXWFMAJRRU-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.32
Rot. Bonds1

About 3-ethyloxiran-2-one

3-ethyloxiran-2-one (PubChem CID 21297762) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 3-ethyloxiran-2-one.

Molecular Properties

Compound Name3-ethyloxiran-2-one
PubChem CID21297762
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name3-ethyloxiran-2-one
SMILESCCC1OC1=O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h3H,2H2,1H3
InChIKeyZOMPBXWFMAJRRU-UHFFFAOYSA-N
XLogP0.32
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyloxiran-2-one?
The IUPAC name of 3-ethyloxiran-2-one (CID 21297762) is 3-ethyloxiran-2-one.
What is the SMILES notation for 3-ethyloxiran-2-one?
The canonical SMILES for 3-ethyloxiran-2-one is CCC1OC1=O.
What is the InChIKey of 3-ethyloxiran-2-one?
The InChIKey is ZOMPBXWFMAJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-3-4(5)6-3/h3H,2H2,1H3.
What are the key properties of 3-ethyloxiran-2-one?
3-ethyloxiran-2-one has a molecular weight of 86.09 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxiran-2-one is sourced from PubChem (CID 21297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).