6,9-diazaspiro[4.5]decan-7-one

• ChemBase ID: 801344
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C1CCCC21NC(=O)CNC2
• Canonical SMILES: O=C1CNCC2(N1)CCCC2
• InChI: InChI=1S/C8H14N2O/c11-7-5-9-6-8(10-7)3-1-2-4-8/h9H,1-6H2,(H,10,11)
• InChIKey: VFJZRCKRTHTEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diazaspiro[4.5]decan-7-one
• IUPAC Traditional name: 6,9-diazaspiro[4.5]decan-7-one
• Synonyms: 6,9-DIAZASPIRO[4.5]DECAN-7-ONE

Database IDs

• CAS Number: 1246396-45-1

CALCULATED PROPERTIES

• Acid pKa: 13.354972
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0599043
• LogD (pH = 7.4): -0.48295158
• Log P: -0.19121608
• Molar Refractivity: 41.8307 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: 98%