2-methyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 309596
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)CCC2(C1)CNCCC2)C
• Canonical SMILES: O=C1CCC2(CN1C)CCCNC2
• InChI: InChI=1S/C10H18N2O/c1-12-8-10(5-3-9(12)13)4-2-6-11-7-10/h11H,2-8H2,1H3
• InChIKey: RPWQHZNDVNXJHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-methyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-methyl-2,8-diazaspiro[5.5]undecan-3-one

Database IDs

• MDL Number: MFCD18917030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3768482
• LogD (pH = 7.4): -2.7630806
• Log P: -0.15242767
• Molar Refractivity: 51.7015 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2