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

• ChemBase ID: 309197
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C1(=O)N(CC2(O1)CNCCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCNC2
• InChI: InChI=1S/C8H14N2O2/c1-10-6-8(12-7(10)11)3-2-4-9-5-8/h9H,2-6H2,1H3
• InChIKey: UVSHUQDLWJHHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2568824
• LogD (pH = 7.4): -2.0448549
• Log P: -0.11024017
• Molar Refractivity: 43.7391 cm^3
• Polarizability: 17.466167 Å^3
• Polar Surface Area: 41.57 Å^2