1-[2-(trimethylsilyl)ethynyl]pyrrolidine

• ChemBase ID: 276798
• Molecular Formular: C9H17NSi
• Molecular Mass: 167.32348
• Monoisotopic Mass: 167.11302608
• SMILES: C(#C[Si](C)(C)C)N1CCCC1
• Canonical SMILES: C[Si](C#CN1CCCC1)(C)C
• InChI: InChI=1S/C9H17NSi/c1-11(2,3)9-8-10-6-4-5-7-10/h4-7H2,1-3H3
• InChIKey: JJSGQSBGQDHJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(trimethylsilyl)ethynyl]pyrrolidine
• IUPAC Traditional name: 1-[2-(trimethylsilyl)ethynyl]pyrrolidine
• Synonyms: 1-[2-(trimethylsilyl)ethynyl]pyrrolidine

Database IDs

• MDL Number: MFCD19382300
• PubChem SID: 164332708
• PubChem CID: 11095014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9509991
• LogD (pH = 7.4): 0.6272816
• Log P: 2.591
• Molar Refractivity: 43.8797 cm^3
• Polarizability: 19.550457 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.694

Product Information

• Purity: 95%