N-[(hydrazinecarbonyl)methyl]furan-2-carboxamide

• ChemBase ID: 267567
• Molecular Formular: C7H9N3O3
• Molecular Mass: 183.16466
• Monoisotopic Mass: 183.06439116
• SMILES: C(=O)(c1occc1)NCC(=O)NN
• Canonical SMILES: NNC(=O)CNC(=O)c1ccco1
• InChI: InChI=1S/C7H9N3O3/c8-10-6(11)4-9-7(12)5-2-1-3-13-5/h1-3H,4,8H2,(H,9,12)(H,10,11)
• InChIKey: TVNDYUOHQBZJDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(hydrazinecarbonyl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N-[(hydrazinecarbonyl)methyl]furan-2-carboxamide
• Synonyms: N-[(hydrazinecarbonyl)methyl]furan-2-carboxamide

Database IDs

• MDL Number: MFCD00276383
• PubChem SID: 164323477
• PubChem CID: 737373

CALCULATED PROPERTIES

• Acid pKa: 11.455387
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.5185765
• LogD (pH = 7.4): -1.5176727
• Log P: -1.5176262
• Molar Refractivity: 44.8149 cm^3
• Polarizability: 16.501112 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.431

Product Information

• Purity: 95%