5,8-diazaspiro[3.5]nonan-9-one

• ChemBase ID: 808167
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: C1CCC21NCCNC2=O
• Canonical SMILES: O=C1NCCNC21CCC2
• InChI: InChI=1S/C7H12N2O/c10-6-7(2-1-3-7)9-5-4-8-6/h9H,1-5H2,(H,8,10)
• InChIKey: SBLDHHOBFOXPPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-diazaspiro[3.5]nonan-9-one
• IUPAC Traditional name: 5,8-diazaspiro[3.5]nonan-9-one
• Synonyms: 5,8-DIAZA-SPIRO[3.5]NONAN-9-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.361327
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9827453
• LogD (pH = 7.4): -0.5260953
• Log P: -0.3314063
• Molar Refractivity: 37.3799 cm^3
• Polarizability: 14.909609 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%