3-(prop-2-enoyl)-1,3-oxazolidin-2-one

• ChemBase ID: 798762
• Molecular Formular: C6H7NO3
• Molecular Mass: 141.12468
• Monoisotopic Mass: 141.04259309
• SMILES: O1C(=O)N(CC1)C(=O)C=C
• Canonical SMILES: C=CC(=O)N1CCOC1=O
• InChI: InChI=1S/C6H7NO3/c1-2-5(8)7-3-4-10-6(7)9/h2H,1,3-4H2
• InChIKey: HIBSYUPTCGGRSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(prop-2-enoyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(prop-2-enoyl)-1,3-oxazolidin-2-one
• Synonyms: 3-acryloyl-2-oxazolidinone

Database IDs

• CAS Number: 2043-21-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.38605523
• LogD (pH = 7.4): 0.38605523
• Log P: 0.38605523
• Molar Refractivity: 33.2308 cm^3
• Polarizability: 12.886141 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%