4-prop-2-enyl-1,2-oxazol-3-one

C6H7NO2 — CID 67503813

IUPAC4-prop-2-enyl-1,2-oxazol-3-one
SMILESC=CCc1co[nH]c1=O
InChIInChI=1S/C6H7NO2/c1-2-3-5-4-9-7-6(5)8/h2,4H,1,3H2,(H,7,8)
InChIKeyRIGOCRYQIPJHNS-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.70
Rot. Bonds2

About 4-prop-2-enyl-1,2-oxazol-3-one

4-prop-2-enyl-1,2-oxazol-3-one (PubChem CID 67503813) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-prop-2-enyl-1,2-oxazol-3-one
PubChem CID67503813
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-prop-2-enyl-1,2-oxazol-3-one
SMILESC=CCc1co[nH]c1=O
InChIInChI=1S/C6H7NO2/c1-2-3-5-4-9-7-6(5)8/h2,4H,1,3H2,(H,7,8)
InChIKeyRIGOCRYQIPJHNS-UHFFFAOYSA-N
XLogP0.70
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-prop-2-enyl-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,2-oxazol-3-one?
The IUPAC name of 4-prop-2-enyl-1,2-oxazol-3-one (CID 67503813) is 4-prop-2-enyl-1,2-oxazol-3-one.
What is the SMILES notation for 4-prop-2-enyl-1,2-oxazol-3-one?
The canonical SMILES for 4-prop-2-enyl-1,2-oxazol-3-one is C=CCc1co[nH]c1=O.
What is the InChIKey of 4-prop-2-enyl-1,2-oxazol-3-one?
The InChIKey is RIGOCRYQIPJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-3-5-4-9-7-6(5)8/h2,4H,1,3H2,(H,7,8).
What are the key properties of 4-prop-2-enyl-1,2-oxazol-3-one?
4-prop-2-enyl-1,2-oxazol-3-one has a molecular weight of 125.13 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2-oxazol-3-one is sourced from PubChem (CID 67503813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).