2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 309247
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: C1(=O)NC(=O)CC21CNCC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CNCC2
• InChI: InChI=1S/C7H10N2O2/c10-5-3-7(6(11)9-5)1-2-8-4-7/h8H,1-4H2,(H,9,10,11)
• InChIKey: VCXLPWQUPBNBSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 2,7-diazaspiro[4.4]nonane-1,3-dione

Database IDs

• MDL Number: MFCD18917062

CALCULATED PROPERTIES

• Polar Surface Area: 58.2 Å^2
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.559838
• LogD (pH = 7.4): -4.272118
• Log P: -2.4675286
• Molar Refractivity: 37.8321 cm^3
• Polarizability: 15.029649 Å^3