1-azaspiro[4.5]decane-2,8-dione

• ChemBase ID: 309802
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: N1C(=O)CCC21CCC(=O)CC2
• Canonical SMILES: O=C1CCC2(CC1)CCC(=O)N2
• InChI: InChI=1S/C9H13NO2/c11-7-1-4-9(5-2-7)6-3-8(12)10-9/h1-6H2,(H,10,12)
• InChIKey: YYOZWKYDAIYBRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[4.5]decane-2,8-dione
• IUPAC Traditional name: 1-azaspiro[4.5]decane-2,8-dione
• Synonyms: 1-azaspiro[4.5]-decane-2,8-dione

Database IDs

• CAS Number: 749861-03-8
• MDL Number: MFCD14706827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.035787858
• LogD (pH = 7.4): -0.03578783
• Log P: -0.03578778
• Molar Refractivity: 43.8031 cm^3
• Polarizability: 17.157507 Å^3
• Polar Surface Area: 46.17 Å^2