2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 309636
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N1C(=O)CCC2(C1)CCNCC2
• Canonical SMILES: O=C1CCC2(CN1)CCNCC2
• InChI: InChI=1S/C9H16N2O/c12-8-1-2-9(7-11-8)3-5-10-6-4-9/h10H,1-7H2,(H,11,12)
• InChIKey: PVYVMHJJWUFKJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2,9-diazaspiro[5.5]undecan-3-one

Database IDs

• MDL Number: MFCD20502401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7520149
• LogD (pH = 7.4): -3.064653
• Log P: -0.5320112
• Molar Refractivity: 46.9588 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 41.13 Å^2