N-[(1Z)-1-(hydrazinecarbonyl)-2-phenyleth-1-en-1-yl]acetamide

• ChemBase ID: 253572
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: C(=C\c1ccccc1)(/C(=O)NN)\NC(=O)C
• Canonical SMILES: NNC(=O)/C(=C/c1ccccc1)/NC(=O)C
• InChI: InChI=1S/C11H13N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H,13,15)(H,14,16)/b10-7-
• InChIKey: XNNGXWQPISXVFG-YFHOEESVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-1-(hydrazinecarbonyl)-2-phenyleth-1-en-1-yl]acetamide
• IUPAC Traditional name: N-[(1Z)-1-(hydrazinecarbonyl)-2-phenyleth-1-en-1-yl]acetamide
• Synonyms: N-[1-(hydrazinocarbonyl)-2-phenylvinyl]acetamide

Database IDs

• MDL Number: MFCD09040594
• PubChem SID: 164309482
• PubChem CID: 16227909

CALCULATED PROPERTIES

• Acid pKa: 12.364514
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.3052963
• LogD (pH = 7.4): -0.30434048
• Log P: -0.30432403
• Molar Refractivity: 62.4349 cm^3
• Polarizability: 23.212849 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%