2-(thiophen-3-yl)pyrrolidine

• ChemBase ID: 258192
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1(cscc1)C1NCCC1
• Canonical SMILES: C1CNC(C1)c1cscc1
• InChI: InChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2
• InChIKey: XXZBVULUYZUNDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-yl)pyrrolidine
• IUPAC Traditional name: 2-(thiophen-3-yl)pyrrolidine
• Synonyms: 2-thien-3-ylpyrrolidine

Database IDs

• CAS Number: 298690-85-4
• MDL Number: MFCD05189311
• PubChem SID: 164314102
• PubChem CID: 3988672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4522451
• LogD (pH = 7.4): -0.9518038
• Log P: 1.7776011
• Molar Refractivity: 43.623 cm^3
• Polarizability: 17.135036 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.58

Product Information

• Purity: 95%