4,5-dimethyl-3,6-dihydro-2H-1,2-oxazine

• ChemBase ID: 309734
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: C1(=C(CONC1)C)C
• Canonical SMILES: CC1=C(C)CNOC1
• InChI: InChI=1S/C6H11NO/c1-5-3-7-8-4-6(5)2/h7H,3-4H2,1-2H3
• InChIKey: SZVLSXVIKPPAGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-3,6-dihydro-2H-1,2-oxazine
• IUPAC Traditional name: 4,5-dimethyl-3,6-dihydro-2H-1,2-oxazine
• Synonyms: 4,5-dimethyl-3,6-dihydro-2H-1,2-oxazine

Database IDs

• MDL Number: MFCD20441331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5576605
• LogD (pH = 7.4): 0.7013757
• Log P: 0.7035537
• Molar Refractivity: 43.5721 cm^3
• Polarizability: 13.029195 Å^3
• Polar Surface Area: 21.26 Å^2