1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

• ChemBase ID: 308946
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: N1C(=O)N(C2(C1=O)CCCC2)C
• Canonical SMILES: CN1C(=O)NC(=O)C21CCCC2
• InChI: InChI=1S/C8H12N2O2/c1-10-7(12)9-6(11)8(10)4-2-3-5-8/h2-5H2,1H3,(H,9,11,12)
• InChIKey: NWIWGGCNGWUUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
• IUPAC Traditional name: 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
• Synonyms: 1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

Database IDs

• CAS Number: 1170110-01-6
• MDL Number: MFCD12402125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3562999
• LogD (pH = 7.4): 0.35593173
• Log P: 0.35630462
• Molar Refractivity: 42.3958 cm^3
• Polarizability: 16.48656 Å^3
• Polar Surface Area: 49.41 Å^2