(2S)-2-methylpyrrolidine

• ChemBase ID: 795692
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: N1[C@H](CCC1)C
• Canonical SMILES: C[C@H]1CCCN1
• InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
• InChIKey: RGHPCLZJAFCTIK-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methylpyrrolidine
• IUPAC Traditional name: (2S)-2-methylpyrrolidine
• Synonyms: (S)-2-Methyl-pyrrolidine

Database IDs

• CAS Number: 59335-84-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.611706
• LogD (pH = 7.4): -2.5516837
• Log P: 0.629494
• Molar Refractivity: 26.6532 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%