4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 310124
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: N1(C(=O)COC2(C1)CCNCC2)C
• Canonical SMILES: O=C1COC2(CN1C)CCNCC2
• InChI: InChI=1S/C9H16N2O2/c1-11-7-9(13-6-8(11)12)2-4-10-5-3-9/h10H,2-7H2,1H3
• InChIKey: AUOVFABBJRBKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Database IDs

• MDL Number: MFCD19707619

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5583806
• LogD (pH = 7.4): -3.6222184
• Log P: -1.3610557
• Molar Refractivity: 48.7897 cm^3
• Polarizability: 19.298449 Å^3
• Polar Surface Area: 41.57 Å^2