1-(2-amino-4-methoxyphenyl)pyrrolidin-2-one

• ChemBase ID: 121046
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: N1(c2c(cc(cc2)OC)N)C(=O)CCC1
• Canonical SMILES: COc1ccc(c(c1)N)N1CCCC1=O
• InChI: InChI=1S/C11H14N2O2/c1-15-8-4-5-10(9(12)7-8)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
• InChIKey: VEDNWLFSQLVOIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-amino-4-methoxyphenyl)pyrrolidin-2-one
• IUPAC Traditional name: 1-(2-amino-4-methoxyphenyl)pyrrolidin-2-one
• Synonyms: 1-(2-amino-4-methoxyphenyl)pyrrolidin-2-one

Database IDs

• PubChem SID: 162215399
• PubChem CID: 16775986

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31454203
• LogD (pH = 7.4): 0.31541684
• Log P: 0.315428
• Molar Refractivity: 58.0958 cm^3
• Polarizability: 21.826204 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true