(Z)-N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide

• ChemBase ID: 309587
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(/C(=N/O)/N)n(ccc1)C
• Canonical SMILES: O/N=C(/c1cccn1C)\N
• InChI: InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(7)8-10/h2-4,10H,1H3,(H2,7,8)
• InChIKey: LSOIQVCHWAYWHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-1-methylpyrrole-2-carboximidamide
• Synonyms: N'-hydroxy-1-methyl-1H-pyrrole-2-carboximidamide

Database IDs

• CAS Number: 500024-87-3
• MDL Number: MFCD18447670

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.42335922
• LogD (pH = 7.4): 0.10079361
• Log P: 0.11409386
• Molar Refractivity: 38.6132 cm^3
• Polarizability: 14.198496 Å^3
• Polar Surface Area: 63.54 Å^2