5-ethylfuran-2-carbohydrazide

• ChemBase ID: 236529
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(C(=O)NN)oc(cc1)CC
• Canonical SMILES: CCc1ccc(o1)C(=O)NN
• InChI: InChI=1S/C7H10N2O2/c1-2-5-3-4-6(11-5)7(10)9-8/h3-4H,2,8H2,1H3,(H,9,10)
• InChIKey: MWFQAAZGLYQXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylfuran-2-carbohydrazide
• IUPAC Traditional name: 5-ethylfuran-2-carbohydrazide
• Synonyms: 5-ethylfuran-2-carbohydrazide

Database IDs

• MDL Number: MFCD11644111
• PubChem SID: 164292439
• PubChem CID: 43167758

CALCULATED PROPERTIES

• Acid pKa: 13.824511
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3092089
• LogD (pH = 7.4): 0.30973393
• Log P: 0.30974078
• Molar Refractivity: 41.6851 cm^3
• Polarizability: 15.113297 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.469

Product Information

• Purity: 95%