3,6-dihydro-2H-1,2-oxazine

• ChemBase ID: 309725
• Molecular Formular: C4H7NO
• Molecular Mass: 85.10448
• Monoisotopic Mass: 85.05276385
• SMILES: N1OCC=CC1
• Canonical SMILES: O1NCC=CC1
• InChI: InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h1-2,5H,3-4H2
• InChIKey: DNUJVGBNIXGTHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dihydro-2H-1,2-oxazine
• IUPAC Traditional name: 3,6-dihydro-2H-1,2-oxazine
• Synonyms: 3,6-dihydro-2H-1,2-oxazine

Database IDs

• MDL Number: MFCD20441332

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.09969118
• LogD (pH = 7.4): 0.21514131
• Log P: 0.21683113
• Molar Refractivity: 35.0081 cm^3
• Polarizability: 9.345625 Å^3
• Polar Surface Area: 21.26 Å^2