1.0 2010-04-08 22:14:31 UTC 2015-07-21 06:37:47 UTC FDB019691 4-(2-Furanylmethylene)-3,4-dihydro-2H-pyrrole Putative proline-derived Maillard product formed in model reactions with proline or pyrroline and ascorbic acid 3-Furfurylidene-1-pyrroline C9H9NO 147.1739 147.068413915 (4Z)-4-(furan-2-ylmethylidene)-3,4-dihydro-2H-pyrrole (3Z)-3-(furan-2-ylmethylidene)-4,5-dihydropyrrole 118248-28-5 C1C\C(=C\C2=CC=CO2)C=N1 InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-7H,3-4H2/b8-6- UEGNEKZXKDRCHZ-VURMDHGXSA-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 2.25 ALOGPS logs -2.71 ALOGPS solubility 2.86e-01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_basic 6.46 ChemAxon iupac (4Z)-4-(furan-2-ylmethylidene)-3,4-dihydro-2H-pyrrole ChemAxon average_mass 147.1739 ChemAxon mono_mass 147.068413915 ChemAxon smiles C1C\C(=C\C2=CC=CO2)C=N1 ChemAxon formula C9H9NO ChemAxon inchi InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-7H,3-4H2/b8-6- ChemAxon inchikey UEGNEKZXKDRCHZ-VURMDHGXSA-N ChemAxon polar_surface_area 25.5 ChemAxon refractivity 44.1 ChemAxon polarizability 15.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8468 Specdb::MsIr 8469 Specdb::CMs 26001 Specdb::CMs 171660 Specdb::MsMs 323614 Specdb::MsMs 323615 Specdb::MsMs 323616 Specdb::MsMs 371812 Specdb::MsMs 371813 Specdb::MsMs 371814 Specdb::MsMs 2362565 Specdb::MsMs 2362566 Specdb::MsMs 2362567 Specdb::MsMs 2600555 Specdb::MsMs 2600556 Specdb::MsMs 2600557 HMDB40009 #<Reference:0x000055ce31e93950>