6,9-diazaspiro[4.5]decane-7,10-dione

• ChemBase ID: 117059
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: N1C2(C(=O)NCC1=O)CCCC2
• Canonical SMILES: O=C1CNC(=O)C2(N1)CCCC2
• InChI: InChI=1S/C8H12N2O2/c11-6-5-9-7(12)8(10-6)3-1-2-4-8/h1-5H2,(H,9,12)(H,10,11)
• InChIKey: BIECEEBDBCGPFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-diazaspiro[4.5]decane-7,10-dione
• IUPAC Traditional name: 6,9-diazaspiro[4.5]decane-7,10-dione
• Synonyms: 6,9-diazaspiro[4.5]decane-7,10-dione

Database IDs

• MDL Number: MFCD20435029
• PubChem SID: 162102064
• PubChem CID: 146164

CALCULATED PROPERTIES

• Acid pKa: 10.919049
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6277189
• LogD (pH = 7.4): -0.6278339
• Log P: -0.62771744
• Molar Refractivity: 42.06 cm^3
• Polarizability: 16.48656 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.205

Product Information

• Purity: 95%