N-propylpyrrolidine-2-carboxamide

• ChemBase ID: 233751
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(C1NCCC1)NCCC
• Canonical SMILES: CCCNC(=O)C1CCCN1
• InChI: InChI=1S/C8H16N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h7,9H,2-6H2,1H3,(H,10,11)
• InChIKey: ITPBGPDKSKEXEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylpyrrolidine-2-carboxamide
• IUPAC Traditional name: N-propylpyrrolidine-2-carboxamide
• Synonyms: N-propylpyrrolidine-2-carboxamide

Database IDs

• CAS Number: 84899-61-6
• MDL Number: MFCD05262936
• PubChem SID: 164289661
• PubChem CID: 4984185

CALCULATED PROPERTIES

• Acid pKa: 15.973993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.007249
• LogD (pH = 7.4): -2.15051
• Log P: 0.1989224
• Molar Refractivity: 44.0558 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.467

Product Information

• Purity: 95%