1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:11 UTC FDB019735 3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole Putative proline-derived Maillard product formed in model reactions with proline or 1-pyrroline and 5-methylfurfural 3-(5-Methylfurfurylidene)-1-pyrroline C10H11NO 161.2004 161.084063979 (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-pyrrole (3Z)-3-[(5-methylfuran-2-yl)methylidene]-4,5-dihydropyrrole CC1=CC=C(O1)\C=C1\CCN=C1 InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6- BCWSVRKZMCXABS-TWGQIWQCSA-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 Azacyclic compounds Furans Hydrocarbon derivatives Imines Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolines 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 Propargyl-type 1,3-dipolar organic compound Pyrroline logp 2.54 ALOGPS logs -3.02 ALOGPS solubility 1.53e-01 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_basic 6.66 ChemAxon iupac (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-pyrrole ChemAxon average_mass 161.2004 ChemAxon mono_mass 161.084063979 ChemAxon smiles CC1=CC=C(O1)\C=C1\CCN=C1 ChemAxon formula C10H11NO ChemAxon inchi InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6- ChemAxon inchikey BCWSVRKZMCXABS-TWGQIWQCSA-N ChemAxon polar_surface_area 25.5 ChemAxon refractivity 49.25 ChemAxon polarizability 18.16 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22115 Specdb::CMs 133443 Specdb::CMs 141177 Specdb::MsIr 8550 Specdb::MsIr 8551 Specdb::MsMs 315103 Specdb::MsMs 315104 Specdb::MsMs 315105 Specdb::MsMs 361000 Specdb::MsMs 361001 Specdb::MsMs 361002 Specdb::MsMs 2445043 Specdb::MsMs 2445044 Specdb::MsMs 2445045 Specdb::MsMs 2521454 Specdb::MsMs 2521455 Specdb::MsMs 2521456 HMDB40048 #<Reference:0x000055ce3293d360>