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

• ChemBase ID: 230588
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: C\1(=N/N)/C(=O)N(c2c1cccc2)CC
• Canonical SMILES: CCN1c2ccccc2/C(=N/N)/C1=O
• InChI: InChI=1S/C10H11N3O/c1-2-13-8-6-4-3-5-7(8)9(12-11)10(13)14/h3-6H,2,11H2,1H3/b12-9-
• InChIKey: OWZFTGKVBIKFDD-XFXZXTDPSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62295-16-3
• MDL Number: MFCD03965291
• PubChem SID: 164286498
• PubChem CID: 6903616

CALCULATED PROPERTIES

• Acid pKa: 19.527533
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8885976
• LogD (pH = 7.4): 0.8886033
• Log P: 0.8886034
• Molar Refractivity: 54.8807 cm^3
• Polarizability: 20.295856 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.56

Product Information

• Purity: 95%