1.02010-04-08 22:14:31 UTC2015-07-21 06:37:48 UTCFDB0196933-(2-Furanylmethyl)-1H-pyrrolePutative proline-derived Maillard product formed in model reactions with proline and ascorbic acid3-FurfurylpyrroleC9H9NO147.1739147.0684139153-(furan-2-ylmethyl)-1H-pyrrole3-(furan-2-ylmethyl)-1H-pyrrole118248-36-5C(C1=CC=CO1)C1=CNC=C1InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-5,7,10H,6H2JDTQSHKXSIWHGV-UHFFFAOYSA-N belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.Substituted pyrrolesOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrrolesAromatic heteromonocyclic compoundsAzacyclic compoundsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganooxygen compoundsOrganopnictogen compoundsOxacyclic compoundsAromatic heteromonocyclic compoundAzacycleFuranHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacycleSubstituted pyrrolelogp2.20logs-1.96solubility1.63e+00 g/llogp2.05pka_strongest_acidic17.9pka_strongest_basic-2.8iupac3-(furan-2-ylmethyl)-1H-pyrroleaverage_mass147.1739mono_mass147.068413915smilesC(C1=CC=CO1)C1=CNC=C1formulaC9H9NOinchiInChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-5,7,10H,6H2inchikeyJDTQSHKXSIWHGV-UHFFFAOYSA-Npolar_surface_area28.93refractivity43.1polarizability15.69rotatable_bond_count2acceptor_count0donor_count1physiological_charge0formal_charge0Specdb::CMs19019Specdb::CMs154510Specdb::MsIr8473Specdb::MsIr8474Specdb::MsIr8475Specdb::NmrOneD38022Specdb::NmrOneD38023Specdb::NmrOneD38024Specdb::NmrOneD38025Specdb::NmrOneD38026Specdb::NmrOneD38027Specdb::NmrOneD38028Specdb::NmrOneD38029Specdb::NmrOneD38030Specdb::NmrOneD38031Specdb::NmrOneD38032Specdb::NmrOneD38033Specdb::NmrOneD38034Specdb::NmrOneD38035Specdb::NmrOneD38036Specdb::NmrOneD38037Specdb::NmrOneD38038Specdb::NmrOneD38039Specdb::NmrOneD38040Specdb::NmrOneD38041Specdb::MsMs308251Specdb::MsMs308252Specdb::MsMs308253Specdb::MsMs352393Specdb::MsMs352394Specdb::MsMs352395Specdb::MsMs3052631Specdb::MsMs3052632Specdb::MsMs3052633Specdb::MsMs3113897Specdb::MsMs3113898Specdb::MsMs3113899HMDB40011#<Reference:0x00005556759da190>