1-methyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 309799
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N1(C(=O)CCC21CCNCC2)C
• Canonical SMILES: O=C1CCC2(N1C)CCNCC2
• InChI: InChI=1S/C9H16N2O/c1-11-8(12)2-3-9(11)4-6-10-7-5-9/h10H,2-7H2,1H3
• InChIKey: WSHZHUWNJGPKTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-methyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-methyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.007456
• LogD (pH = 7.4): -3.3058028
• Log P: -0.7884063
• Molar Refractivity: 47.2006 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2