1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:10 UTC FDB019732 5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol Putative proline-derived Maillard product formed in model reactions with proline and ascorbic acid 3-[5-(Hydroxymethyl)furfurylidene]-1-pyrroline C10H11NO2 177.1998 177.078978601 {5-[(4Z)-3,4-dihydro-2H-pyrrol-4-ylidenemethyl]furan-2-yl}methanol {5-[(3Z)-4,5-dihydropyrrol-3-ylidenemethyl]furan-2-yl}methanol OCC1=CC=C(O1)\C=C1\CCN=C1 InChI=1S/C10H11NO2/c12-7-10-2-1-9(13-10)5-8-3-4-11-6-8/h1-2,5-6,12H,3-4,7H2/b8-5- JOWOWIZUAITHGQ-YVMONPNESA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Aromatic alcohols Azacyclic compounds Furans Hydrocarbon derivatives Imines Organopnictogen compounds Oxacyclic compounds Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrrolines Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative Imine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyrroline logp 1.32 ALOGPS logs -2.75 ALOGPS solubility 3.13e-01 g/l ALOGPS logp 0.35 ChemAxon pka_strongest_acidic 13.78 ChemAxon pka_strongest_basic 6.39 ChemAxon iupac {5-[(4Z)-3,4-dihydro-2H-pyrrol-4-ylidenemethyl]furan-2-yl}methanol ChemAxon average_mass 177.1998 ChemAxon mono_mass 177.078978601 ChemAxon smiles OCC1=CC=C(O1)\C=C1\CCN=C1 ChemAxon formula C10H11NO2 ChemAxon inchi InChI=1S/C10H11NO2/c12-7-10-2-1-9(13-10)5-8-3-4-11-6-8/h1-2,5-6,12H,3-4,7H2/b8-5- ChemAxon inchikey JOWOWIZUAITHGQ-YVMONPNESA-N ChemAxon polar_surface_area 45.73 ChemAxon refractivity 50.8 ChemAxon polarizability 19.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8543 Specdb::MsIr 8544 Specdb::MsIr 8545 Specdb::CMs 24209 Specdb::CMs 46675 Specdb::CMs 171957 Specdb::MsMs 319630 Specdb::MsMs 319631 Specdb::MsMs 319632 Specdb::MsMs 366793 Specdb::MsMs 366794 Specdb::MsMs 366795 Specdb::MsMs 2370902 Specdb::MsMs 2370903 Specdb::MsMs 2370904 Specdb::MsMs 2568646 Specdb::MsMs 2568647 Specdb::MsMs 2568648 HMDB40045 #<Reference:0x000055ce2eff91a8>