1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 309183
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: C1(=O)OC2(CN1)CNCCC2
• Canonical SMILES: O=C1NCC2(O1)CCCNC2
• InChI: InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)2-1-3-8-4-7/h8H,1-5H2,(H,9,10)
• InChIKey: VKOPTINKXWMLIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 1-oxa-3,7-diazaspiro[4.5]decan-2-one

Database IDs

• CAS Number: 1308384-36-2
• MDL Number: MFCD18917053

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4806347
• LogD (pH = 7.4): -2.268897
• Log P: -0.33391625
• Molar Refractivity: 38.8424 cm^3
• Polarizability: 15.636697 Å^3
• Polar Surface Area: 50.36 Å^2