N-[(7E)-2,3,5-trimethyl-7H-furo[3,2-g]chromen-7-ylidene]hydroxylamine

• ChemBase ID: 219345
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: c12c(oc(c1C)C)cc1c(c(c/c(=N\O)/o1)C)c2
• Canonical SMILES: O/N=c/1\cc(C)c2c(o1)cc1c(c2)c(c(o1)C)C
• InChI: InChI=1S/C14H13NO3/c1-7-4-14(15-16)18-12-6-13-11(5-10(7)12)8(2)9(3)17-13/h4-6,16H,1-3H3/b15-14+
• InChIKey: TXSFOBBWPXNVCN-CCEZHUSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(7E)-2,3,5-trimethyl-7H-furo[3,2-g]chromen-7-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(7E)-2,3,5-trimethylfuro[3,2-g]chromen-7-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164275255
• PubChem CID: 16409252

CALCULATED PROPERTIES

• Acid pKa: 8.451442
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.14719
• LogD (pH = 7.4): 3.1108756
• Log P: 3.1476734
• Molar Refractivity: 68.6843 cm^3
• Polarizability: 26.786707 Å^3
• Polar Surface Area: 54.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds