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

• ChemBase ID: 53617
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: C\1(=N/N)/C(=O)Nc2c1cccc2
• Canonical SMILES: N/N=C/1\C(=O)Nc2c1cccc2
• InChI: InChI=1S/C8H7N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4H,9H2,(H,10,11,12)
• InChIKey: WXUKYQGOSKSDRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-3-hydrazinylidene-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-3-hydrazinylidene-1H-indol-2-one
• Synonyms: 3-Hydrazono-1,3-dihydro-2H-indol-2-one

Database IDs

• CAS Number: 2365-44-8
• MDL Number: MFCD00170809
• PubChem SID: 162058380
• PubChem CID: 5359711

CALCULATED PROPERTIES

• Acid pKa: 9.9406805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6677106
• LogD (pH = 7.4): 0.6665429
• Log P: 0.6677294
• Molar Refractivity: 47.0162 cm^3
• Polarizability: 16.619757 Å^3
• Polar Surface Area: 67.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false