3-(furan-2-yl)pyrrolidine

• ChemBase ID: 272657
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(occc1)C1CNCC1
• Canonical SMILES: C1NCC(C1)c1ccco1
• InChI: InChI=1S/C8H11NO/c1-2-8(10-5-1)7-3-4-9-6-7/h1-2,5,7,9H,3-4,6H2
• InChIKey: JZUXVUVOBBUMGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)pyrrolidine
• IUPAC Traditional name: 3-(furan-2-yl)pyrrolidine
• Synonyms: 3-(furan-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD06657905
• PubChem SID: 164328567
• PubChem CID: 52988233

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5769145
• LogD (pH = 7.4): -2.2068644
• Log P: 0.6575917
• Molar Refractivity: 39.2471 cm^3
• Polarizability: 15.275448 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.11

Product Information

• Purity: 95%