1-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 55951
• Molecular Formular: C19H13NO2
• Molecular Mass: 287.31202
• Monoisotopic Mass: 287.09462866
• SMILES: N1(C(=O)C(=O)c2c1cccc2)Cc1c2c(ccc1)cccc2
• Canonical SMILES: O=C1c2ccccc2N(C1=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C19H13NO2/c21-18-16-10-3-4-11-17(16)20(19(18)22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
• InChIKey: JZHKGMPFIUHFTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 1-(naphthalen-1-ylmethyl)indole-2,3-dione
• Synonyms: 1-(1-Naphthylmethyl)-1H-indole-2,3-dione

Database IDs

• MDL Number: MFCD00498556
• PubChem SID: 162060714
• PubChem CID: 2265543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5295596
• LogD (pH = 7.4): 3.5295596
• Log P: 3.5295596
• Molar Refractivity: 84.6537 cm^3
• Polarizability: 33.503105 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false