2-(furan-2-yl)pyrrolidine

• ChemBase ID: 75706
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: o1c(ccc1)C1NCCC1
• Canonical SMILES: C1CNC(C1)c1ccco1
• InChI: InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
• InChIKey: LIFJPSLQRGQNMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(furan-2-yl)pyrrolidine
• Synonyms: 2-(2-furyl)pyrrolidine; 2-(Pyrrolidin-2-yl)furan; 2-(Fur-2-yl)pyrrolidine; 2-(furan-2-yl)pyrrolidine

Database IDs

• CAS Number: 90086-89-8
• MDL Number: MFCD02663415
• PubChem SID: 162040624
• PubChem CID: 3675988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0909553
• LogD (pH = 7.4): -0.88546973
• Log P: 1.0574058
• Molar Refractivity: 38.9081 cm^3
• Polarizability: 15.349743 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

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%