N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 259519
• Molecular Formular: C12H14N2O3
• Molecular Mass: 234.25116
• Monoisotopic Mass: 234.10044232
• SMILES: N1(C(=O)CCC1)CC(=O)Nc1cc(O)ccc1
• Canonical SMILES: O=C(CN1CCCC1=O)Nc1cccc(c1)O
• InChI: InChI=1S/C12H14N2O3/c15-10-4-1-3-9(7-10)13-11(16)8-14-6-2-5-12(14)17/h1,3-4,7,15H,2,5-6,8H2,(H,13,16)
• InChIKey: LODQTESXMQFTNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD11172626
• PubChem SID: 164315429
• PubChem CID: 28789155

CALCULATED PROPERTIES

• Acid pKa: 9.234338
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.25270703
• LogD (pH = 7.4): 0.24651146
• Log P: 0.25278667
• Molar Refractivity: 63.4974 cm^3
• Polarizability: 23.69363 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.272

Product Information

• Purity: 95%