1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 309187
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C1(=O)OC2(CN1)CCNCCC2
• Canonical SMILES: O=C1NCC2(O1)CCNCCC2
• InChI: InChI=1S/C8H14N2O2/c11-7-10-6-8(12-7)2-1-4-9-5-3-8/h9H,1-6H2,(H,10,11)
• InChIKey: ZGBXGJPUSCAJEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 1-oxa-3,8-diazaspiro[4.6]undecan-2-one

Database IDs

• CAS Number: 1308384-26-0
• MDL Number: MFCD18917054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4979866
• LogD (pH = 7.4): -2.8771536
• Log P: -0.2739565
• Molar Refractivity: 43.7078 cm^3
• Polarizability: 17.466167 Å^3
• Polar Surface Area: 50.36 Å^2