N-cyclopropyl-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 212981
• Molecular Formular: C15H15NO4
• Molecular Mass: 273.2839
• Monoisotopic Mass: 273.10010797
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)O)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NC1CC1
• InChI: InChI=1S/C15H15NO4/c1-8-11-5-4-10(17)6-13(11)20-15(19)12(8)7-14(18)16-9-2-3-9/h4-6,9,17H,2-3,7H2,1H3,(H,16,18)
• InChIKey: AFPOLIMCTMYLQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164268891
• PubChem CID: 6236017

CALCULATED PROPERTIES

• Acid pKa: 7.7668056
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1790359
• LogD (pH = 7.4): 1.0272888
• Log P: 1.1813643
• Molar Refractivity: 72.3651 cm^3
• Polarizability: 27.859163 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds