2-(5-ethylfuran-2-yl)pyrrolidine

• ChemBase ID: 276339
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(oc(cc1)CC)C1NCCC1
• Canonical SMILES: CCc1ccc(o1)C1CCCN1
• InChI: InChI=1S/C10H15NO/c1-2-8-5-6-10(12-8)9-4-3-7-11-9/h5-6,9,11H,2-4,7H2,1H3
• InChIKey: IGFAXYMDKQJCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethylfuran-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(5-ethylfuran-2-yl)pyrrolidine
• Synonyms: 2-(5-ethylfuran-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD18652491
• PubChem SID: 164332249
• PubChem CID: 54594141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3780379
• LogD (pH = 7.4): -0.20975968
• Log P: 1.7794895
• Molar Refractivity: 48.5818 cm^3
• Polarizability: 18.958004 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.138

Product Information

• Purity: 95%