3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 309198
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: C1(=O)N(CC2(O1)CCNC2)C
• Canonical SMILES: O=C1OC2(CN1C)CNCC2
• InChI: InChI=1S/C7H12N2O2/c1-9-5-7(11-6(9)10)2-3-8-4-7/h8H,2-5H2,1H3
• InChIKey: AHPCMZJMUHLTAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

Database IDs

• MDL Number: MFCD18917055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8533914
• LogD (pH = 7.4): -3.265397
• Log P: -0.6276028
• Molar Refractivity: 39.0945 cm^3
• Polarizability: 15.636697 Å^3
• Polar Surface Area: 41.57 Å^2