1-(prop-2-yn-1-yl)pyrrolidine

• ChemBase ID: 269673
• Molecular Formular: C7H11N
• Molecular Mass: 109.16894
• Monoisotopic Mass: 109.08914936
• SMILES: C(#C)CN1CCCC1
• Canonical SMILES: C#CCN1CCCC1
• InChI: InChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h1H,3-7H2
• InChIKey: IUGUPWHFLZEPHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-yn-1-yl)pyrrolidine
• IUPAC Traditional name: 1-(prop-2-yn-1-yl)pyrrolidine
• Synonyms: 1-(prop-2-yn-1-yl)pyrrolidine

Database IDs

• MDL Number: MFCD03727329
• PubChem SID: 164325583
• PubChem CID: 299616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.4317446
• LogD (pH = 7.4): -0.8971562
• Log P: 0.82404995
• Molar Refractivity: 35.1093 cm^3
• Polarizability: 13.338735 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.422

Product Information

• Purity: 95%