5,5-dimethyl-3-nitroso-1,3-oxazolidin-2-one

• ChemBase ID: 292131
• Molecular Formular: C5H8N2O3
• Molecular Mass: 144.12862
• Monoisotopic Mass: 144.05349213
• SMILES: O=C1OC(C)(C)CN1N=O
• Canonical SMILES: O=NN1CC(OC1=O)(C)C
• InChI: InChI=1S/C5H8N2O3/c1-5(2)3-7(6-9)4(8)10-5/h3H2,1-2H3
• InChIKey: IHNOAELAGIWULK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-3-nitroso-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5,5-dimethyl-3-nitroso-1,3-oxazolidin-2-one
• Synonyms: 5,5-Dimethyl-3-nitrosooxazolidin-2-one

Database IDs

• CAS Number: 24519-03-7
• MDL Number: MFCD20491453
• PubChem SID: 180677662
• PubChem CID: 299146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.948464
• LogD (pH = 7.4): 0.948464
• Log P: 0.948464
• Molar Refractivity: 33.4313 cm^3
• Polarizability: 12.352757 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%