1-benzoylpyrrolidin-3-amine

• ChemBase ID: 238529
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: N1(C(=O)c2ccccc2)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C11H14N2O/c12-10-6-7-13(8-10)11(14)9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
• InChIKey: GOCPFGTXVLZUDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoylpyrrolidin-3-amine
• IUPAC Traditional name: 1-benzoylpyrrolidin-3-amine
• Synonyms: 1-benzoylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11849573
• PubChem SID: 164294439
• PubChem CID: 21074604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.552506
• LogD (pH = 7.4): -1.5220196
• Log P: 0.4224563
• Molar Refractivity: 55.4462 cm^3
• Polarizability: 21.321932 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.257

Product Information

• Purity: 95%