3-amino-1,3-oxazinan-2-one

• ChemBase ID: 160261
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: C1COC(=O)N(C1)N
• Canonical SMILES: O=C1OCCCN1N
• InChI: InChI=1S/C4H8N2O2/c5-6-2-1-3-8-4(6)7/h1-3,5H2
• InChIKey: PISNODKEJUFUNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1,3-oxazinan-2-one
• IUPAC Traditional name: 3-amino-1,3-oxazinan-2-one
• Synonyms: 3-Aminotetrahydro-2H-1,3-oxazin-2-one; 3-Aminotetrahydro-1,3-oxazin-2-one

Database IDs

• CAS Number: 54924-47-9
• PubChem SID: 162254396
• PubChem CID: 21427413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.59781957
• LogD (pH = 7.4): -0.59539306
• Log P: -0.595362
• Molar Refractivity: 28.3667 cm^3
• Polarizability: 10.782786 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true