(2Z)-6-methoxy-2-(methylimino)-2H-chromene-3-carboxamide

• ChemBase ID: 182286
• Molecular Formular: C12H12N2O3
• Molecular Mass: 232.23528
• Monoisotopic Mass: 232.08479225
• SMILES: c1(/c(=N/C)/oc2c(c1)cc(cc2)OC)C(=O)N
• Canonical SMILES: COc1ccc2c(c1)cc(/c(=N/C)/o2)C(=O)N
• InChI: InChI=1S/C12H12N2O3/c1-14-12-9(11(13)15)6-7-5-8(16-2)3-4-10(7)17-12/h3-6H,1-2H3,(H2,13,15)/b14-12-
• InChIKey: OUQZCHQKWASSRJ-OWBHPGMISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-methoxy-2-(methylimino)-2H-chromene-3-carboxamide
• IUPAC Traditional name: (2Z)-6-methoxy-2-(methylimino)chromene-3-carboxamide

Database IDs

• PubChem SID: 164238196
• PubChem CID: 927972

CALCULATED PROPERTIES

• Acid pKa: 15.239875
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6404159
• LogD (pH = 7.4): 0.64230233
• Log P: 0.6423264
• Molar Refractivity: 62.8621 cm^3
• Polarizability: 23.780258 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds