1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethan-1-ol

• ChemBase ID: 237684
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(C(CC2NCCC2)O)occc1
• Canonical SMILES: OC(c1ccco1)CC1CCCN1
• InChI: InChI=1S/C10H15NO2/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8-9,11-12H,1,3,5,7H2
• InChIKey: WFLJBRRIRXFMNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethanol
• Synonyms: 1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD22375246
• PubChem SID: 164293594
• PubChem CID: 71755983

CALCULATED PROPERTIES

• Acid pKa: 13.374603
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7483494
• LogD (pH = 7.4): -2.408012
• Log P: 0.48703063
• Molar Refractivity: 49.736 cm^3
• Polarizability: 19.655842 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%