(3Z)-1-benzyl-3-hydrazinylidene-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 230576
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: N1(C(=O)/C(=N\N)/c2c1cccc2)Cc1ccccc1
• Canonical SMILES: N/N=C/1\C(=O)N(c2c1cccc2)Cc1ccccc1
• InChI: InChI=1S/C15H13N3O/c16-17-14-12-8-4-5-9-13(12)18(15(14)19)10-11-6-2-1-3-7-11/h1-9H,10,16H2/b17-14-
• InChIKey: DFDANTZDZZNOQD-VKAVYKQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-1-benzyl-3-hydrazinylidene-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-1-benzyl-3-hydrazinylideneindol-2-one
• Synonyms: 1-Benzyl-3-hydrazono-1,3-dihydro-indol-2-one

Database IDs

• CAS Number: 95060-80-3
• MDL Number: MFCD03486997
• PubChem SID: 164286486
• PubChem CID: 7340392

CALCULATED PROPERTIES

• Acid pKa: 19.527277
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2562616
• LogD (pH = 7.4): 2.2562685
• Log P: 2.2562685
• Molar Refractivity: 74.7447 cm^3
• Polarizability: 28.050116 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.799

Product Information

• Purity: 95%