(2S)-2-propylpyrrolidine

• ChemBase ID: 803583
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1[C@H](CCC1)CCC
• Canonical SMILES: CCC[C@H]1CCCN1
• InChI: InChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
• InChIKey: ICALDHCMXFGLBN-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-propylpyrrolidine
• IUPAC Traditional name: (2S)-2-propylpyrrolidine
• Synonyms: (2S)-2-(METHYLETHYL)PYRROLIDINE

Database IDs

• CAS Number: 41720-99-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6447246
• LogD (pH = 7.4): -1.5922451
• Log P: 1.596585
• Molar Refractivity: 35.7782 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%