7,8-dimethoxy-2H,3H,4H,6H,10bH-[1,3]oxazino[2,3-a]isoindole-2,6-dione

• ChemBase ID: 187348
• Molecular Formular: C13H13NO5
• Molecular Mass: 263.24602
• Monoisotopic Mass: 263.07937252
• SMILES: N12C(=O)c3c(C1OC(=O)CC2)ccc(c3OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1C(=O)N1C2OC(=O)CC1
• InChI: InChI=1S/C13H13NO5/c1-17-8-4-3-7-10(11(8)18-2)12(16)14-6-5-9(15)19-13(7)14/h3-4,13H,5-6H2,1-2H3
• InChIKey: DZXLASFNMUXXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-2H,3H,4H,6H,10bH-[1,3]oxazino[2,3-a]isoindole-2,6-dione
• IUPAC Traditional name: 7,8-dimethoxy-3H,4H,10bH-[1,3]oxazino[2,3-a]isoindole-2,6-dione

Database IDs

• PubChem SID: 164243258
• PubChem CID: 3263923

CALCULATED PROPERTIES

• Acid pKa: 15.631381
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7223662
• LogD (pH = 7.4): 0.7223662
• Log P: 0.7223662
• Molar Refractivity: 64.7325 cm^3
• Polarizability: 24.978283 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Conformers
• Classification: Rare Derivatives of Natural Compounds