2-(trimethylsilyl)-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 87365
• Molecular Formular: C11H13NO2Si
• Molecular Mass: 219.31192
• Monoisotopic Mass: 219.07155519
• SMILES: N1(C(=O)c2ccccc2C1=O)[Si](C)(C)C
• Canonical SMILES: O=C1c2ccccc2C(=O)N1[Si](C)(C)C
• InChI: InChI=1S/C11H13NO2Si/c1-15(2,3)12-10(13)8-6-4-5-7-9(8)11(12)14/h4-7H,1-3H3
• InChIKey: ZRAPHEBMDYQXKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trimethylsilyl)-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-(trimethylsilyl)isoindole-1,3-dione
• Synonyms: 2-(Trimethylsilyl)-1H-isoindole-1,3(2H)-dione; N-(Trimethylsilyl)phthalimide

Database IDs

• CAS Number: 10416-67-8
• PubChem SID: 162074470
• PubChem CID: 82615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0839
• LogD (pH = 7.4): 2.0839
• Log P: 2.0839
• Molar Refractivity: 55.8551 cm^3
• Polarizability: 22.601185 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant