1-{1H,3H-naphtho[1,2-c]furan-4-ylmethyl}pyrrolidine

• ChemBase ID: 191879
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: c1(c2c(c3c(c1)cccc3)COC2)CN1CCCC1
• Canonical SMILES: C1CCN(C1)Cc1cc2ccccc2c2c1COC2
• InChI: InChI=1S/C17H19NO/c1-2-6-15-13(5-1)9-14(10-18-7-3-4-8-18)16-11-19-12-17(15)16/h1-2,5-6,9H,3-4,7-8,10-12H2
• InChIKey: VQYOWZJUFOFYJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1H,3H-naphtho[1,2-c]furan-4-ylmethyl}pyrrolidine
• IUPAC Traditional name: 1-{1H,3H-naphtho[1,2-c]furan-4-ylmethyl}pyrrolidine

Database IDs

• PubChem SID: 164247789
• PubChem CID: 822787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.39669186
• LogD (pH = 7.4): 1.015611
• Log P: 2.936921
• Molar Refractivity: 78.7136 cm^3
• Polarizability: 31.562632 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds