octahydropyrido[1,2-c][1,3]oxazine

• ChemBase ID: 18090
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: O1CN2C(CC1)CCCC2
• Canonical SMILES: C1CCC2N(C1)COCC2
• InChI: InChI=1S/C8H15NO/c1-2-5-9-7-10-6-4-8(9)3-1/h8H,1-7H2
• InChIKey: QNXMMEGQRQOPEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropyrido[1,2-c][1,3]oxazine
• IUPAC Traditional name: octahydropyrido[1,2-c][1,3]oxazine
• Synonyms: Hexahydro-1H,3H-pyrido[1,2-c][1,3]oxazine

Database IDs

• MDL Number: MFCD06637496
• PubChem SID: 160981397
• PubChem CID: 23278629

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.82093966
• LogD (pH = 7.4): 0.762175
• Log P: 1.051863
• Molar Refractivity: 40.5497 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 0

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false