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

• ChemBase ID: 230809
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: C\1(=N/N)/C(=O)N(c2c1cccc2)C
• Canonical SMILES: N/N=C\1/c2ccccc2N(C1=O)C
• InChI: InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-10)9(12)13/h2-5H,10H2,1H3/b11-8-
• InChIKey: WEJSLWMWNXETNI-FLIBITNWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3265-23-4
• MDL Number: MFCD00614577
• PubChem SID: 164286719
• PubChem CID: 6900796

CALCULATED PROPERTIES

• Acid pKa: 19.527693
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.53179085
• LogD (pH = 7.4): 0.5317954
• Log P: 0.53179544
• Molar Refractivity: 50.1321 cm^3
• Polarizability: 18.45677 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.031

Product Information

• Purity: 95%