3-prop-2-enyloxiran-2-one

C5H6O2 — CID 119096442

IUPAC3-prop-2-enyloxiran-2-one
SMILESC=CCC1OC1=O
InChIInChI=1S/C5H6O2/c1-2-3-4-5(6)7-4/h2,4H,1,3H2
InChIKeyOHDQHSIQHFHHCB-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.49
Rot. Bonds2

About 3-prop-2-enyloxiran-2-one

3-prop-2-enyloxiran-2-one (PubChem CID 119096442) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 3-prop-2-enyloxiran-2-one.

Molecular Properties

Compound Name3-prop-2-enyloxiran-2-one
PubChem CID119096442
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name3-prop-2-enyloxiran-2-one
SMILESC=CCC1OC1=O
InChIInChI=1S/C5H6O2/c1-2-3-4-5(6)7-4/h2,4H,1,3H2
InChIKeyOHDQHSIQHFHHCB-UHFFFAOYSA-N
XLogP0.49
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyloxiran-2-one?
The IUPAC name of 3-prop-2-enyloxiran-2-one (CID 119096442) is 3-prop-2-enyloxiran-2-one.
What is the SMILES notation for 3-prop-2-enyloxiran-2-one?
The canonical SMILES for 3-prop-2-enyloxiran-2-one is C=CCC1OC1=O.
What is the InChIKey of 3-prop-2-enyloxiran-2-one?
The InChIKey is OHDQHSIQHFHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c1-2-3-4-5(6)7-4/h2,4H,1,3H2.
What are the key properties of 3-prop-2-enyloxiran-2-one?
3-prop-2-enyloxiran-2-one has a molecular weight of 98.10 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyloxiran-2-one is sourced from PubChem (CID 119096442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).