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

• ChemBase ID: 309249
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: C1(=O)N(CC2(O1)CCNCCC2)C
• Canonical SMILES: CN1CC2(OC1=O)CCNCCC2
• InChI: InChI=1S/C9H16N2O2/c1-11-7-9(13-8(11)12)3-2-5-10-6-4-9/h10H,2-7H2,1H3
• InChIKey: JRXNPMMTBWQQMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917063

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2743132
• LogD (pH = 7.4): -2.6535258
• Log P: -0.05028043
• Molar Refractivity: 48.6045 cm^3
• Polarizability: 19.298449 Å^3
• Polar Surface Area: 41.57 Å^2