[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanol

• ChemBase ID: 243043
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: N1(Cc2occc2)C(CO)CCC1
• Canonical SMILES: OCC1CCCN1Cc1ccco1
• InChI: InChI=1S/C10H15NO2/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h2,4,6,9,12H,1,3,5,7-8H2
• InChIKey: AJMRZGKANCNDIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanol
• IUPAC Traditional name: [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanol
• Synonyms: [1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanol

Database IDs

• MDL Number: MFCD10004515
• PubChem SID: 164298953
• PubChem CID: 24275993

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.2589657
• LogD (pH = 7.4): -0.54708576
• Log P: 0.7503517
• Molar Refractivity: 50.4951 cm^3
• Polarizability: 19.65754 Å^3
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.111901
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.151

Product Information

• Purity: 95%