4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one

C8H9NO2 — CID 70506048

IUPAC4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one
SMILESC=CCc1oc(=O)[nH]c1C=C
InChIInChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-4H,1-2,5H2,(H,9,10)
InChIKeyFXIGOSOEXJEXKG-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.34
Rot. Bonds3

About 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one

4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one (PubChem CID 70506048) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one
PubChem CID70506048
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one
SMILESC=CCc1oc(=O)[nH]c1C=C
InChIInChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-4H,1-2,5H2,(H,9,10)
InChIKeyFXIGOSOEXJEXKG-UHFFFAOYSA-N
XLogP1.34
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one (CID 70506048) is 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one is C=CCc1oc(=O)[nH]c1C=C.
What is the InChIKey of 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one?
The InChIKey is FXIGOSOEXJEXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-4H,1-2,5H2,(H,9,10).
What are the key properties of 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one?
4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one has a molecular weight of 151.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 70506048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).