2,8-diazaspiro[4.5]decan-1-one

• ChemBase ID: 287869
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: O=C1NCCC21CCNCC2
• Canonical SMILES: O=C1NCCC21CCNCC2
• InChI: InChI=1S/C8H14N2O/c11-7-8(3-6-10-7)1-4-9-5-2-8/h9H,1-6H2,(H,10,11)
• InChIKey: HHIOFHJYOIVJJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-diazaspiro[4.5]decan-1-one
• IUPAC Traditional name: 2,8-diazaspiro[4.5]decan-1-one
• Synonyms: 2,8-Diazaspiro[4.5]decan-1-one

Database IDs

• CAS Number: 546086-95-7
• MDL Number: MFCD12406551
• PubChem SID: 180673400
• PubChem CID: 22225011

CALCULATED PROPERTIES

• Acid pKa: 14.742253
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8454344
• LogD (pH = 7.4): -3.2401705
• Log P: -0.62055296
• Molar Refractivity: 42.5636 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%