4,7-diazaspiro[2.5]octan-8-one

• ChemBase ID: 808166
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: C1CC21NCCNC2=O
• Canonical SMILES: O=C1NCCNC21CC2
• InChI: InChI=1S/C6H10N2O/c9-5-6(1-2-6)8-4-3-7-5/h8H,1-4H2,(H,7,9)
• InChIKey: FSLZGHJDIDSIPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-diazaspiro[2.5]octan-8-one
• IUPAC Traditional name: 4,7-diazaspiro[2.5]octan-8-one
• Synonyms: 4,7-DIAZA-SPIRO[2.5]OCTAN-8-ONE

Database IDs

• CAS Number: 907973-01-7

CALCULATED PROPERTIES

• Acid pKa: 14.25792
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1491818
• LogD (pH = 7.4): -0.88606024
• Log P: -0.775975
• Molar Refractivity: 32.7789 cm^3
• Polarizability: 13.075193 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%