3-methylpyrrolidine

• ChemBase ID: 262625
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: N1CC(CC1)C
• Canonical SMILES: CC1CNCC1
• InChI: InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3
• InChIKey: KYINPWAJIVTFBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyrrolidine
• IUPAC Traditional name: 3-methylpyrrolidine
• Synonyms: 3-methylpyrrolidine

Database IDs

• CAS Number: 34375-89-8
• MDL Number: MFCD07383543
• PubChem SID: 164318535
• PubChem CID: 118158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.663311
• LogD (pH = 7.4): -2.6034849
• Log P: 0.5778918
• Molar Refractivity: 26.706 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.895

Product Information

• Purity: 95%; 98%