1-{2-[(2-oxo-2H-chromen-7-yl)oxy]acetyl}imidazolidin-2-one

• ChemBase ID: 224070
• Molecular Formular: C14H12N2O5
• Molecular Mass: 288.25548
• Monoisotopic Mass: 288.07462149
• SMILES: N1(C(=O)NCC1)C(=O)COc1cc2oc(=O)ccc2cc1
• Canonical SMILES: O=C(N1CCNC1=O)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C14H12N2O5/c17-12(16-6-5-15-14(16)19)8-20-10-3-1-9-2-4-13(18)21-11(9)7-10/h1-4,7H,5-6,8H2,(H,15,19)
• InChIKey: GMRCUKNQSMLURH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(2-oxo-2H-chromen-7-yl)oxy]acetyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{2-[(2-oxochromen-7-yl)oxy]acetyl}imidazolidin-2-one

Database IDs

• PubChem SID: 164279980
• PubChem CID: 7564320

CALCULATED PROPERTIES

• Polarizability: 27.380028 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 12.799283
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22761898
• LogD (pH = 7.4): 0.2276173
• Log P: 0.227619
• Molar Refractivity: 71.9856 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds