9-methyl-3,9-diazaspiro[5.6]dodecan-10-one

• ChemBase ID: 309073
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: N1(C(=O)CCC2(CC1)CCNCC2)C
• Canonical SMILES: CN1CCC2(CCC1=O)CCNCC2
• InChI: InChI=1S/C11H20N2O/c1-13-9-6-11(3-2-10(13)14)4-7-12-8-5-11/h12H,2-9H2,1H3
• InChIKey: ZOGLWXXLKWAPDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-3,9-diazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-methyl-3,9-diazaspiro[5.6]dodecan-10-one
• Synonyms: 9-methyl-3,9-diazaspiro[5.6]dodecan-10-one

Database IDs

• MDL Number: MFCD18447648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.250619
• LogD (pH = 7.4): -2.7774527
• Log P: -0.019673925
• Molar Refractivity: 56.6105 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2