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

• ChemBase ID: 231162
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: C\1(=N/N)/C(=O)N(c2c1cccc2)CCC
• Canonical SMILES: CCCN1c2ccccc2/C(=N/N)/C1=O
• InChI: InChI=1S/C11H13N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h3-6H,2,7,12H2,1H3/b13-10-
• InChIKey: ZEDJVEJVFZMZLG-RAXLEYEMSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01117122
• PubChem SID: 164287072
• PubChem CID: 6903510

CALCULATED PROPERTIES

• Acid pKa: 19.52752
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4111185
• LogD (pH = 7.4): 1.4111257
• Log P: 1.4111258
• Molar Refractivity: 59.4047 cm^3
• Polarizability: 22.136225 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.089

Product Information

• Purity: 95%