2-cyclopentylpyrrolidine hydrochloride

• ChemBase ID: 261800
• Molecular Formular: C9H18ClN
• Molecular Mass: 175.69892
• Monoisotopic Mass: 175.11277726
• SMILES: N1C(C2CCCC2)CCC1.Cl
• Canonical SMILES: C1CCC(C1)C1CCCN1.Cl
• InChI: InChI=1S/C9H17N.ClH/c1-2-5-8(4-1)9-6-3-7-10-9;/h8-10H,1-7H2;1H
• InChIKey: YAOOWJJBZOXVKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-cyclopentylpyrrolidine hydrochloride
• Synonyms: 2-cyclopentylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD12912994
• PubChem SID: 164317710
• PubChem CID: 45791903

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.299095
• LogD (pH = 7.4): -1.2597177
• Log P: 1.9424007
• Molar Refractivity: 43.0486 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%