1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:09 UTC FDB019729 3-[(5-Methyl-2-furanyl)methyl]-1H-pyrrole Putative proline-derived Maillard product formed in model reactions with 1-pyrroline and 5-methylfurfural 2-Methyl-5-(3-pyrrolylmethyl)furan 3-(5-Methylfurfuryl)pyrrole C10H11NO 161.2004 161.084063979 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole 118248-37-6 CC1=CC=C(CC2=CNC=C2)O1 InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3 WKJYTIFWOMZIGZ-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 pyrroles Organic compounds Organoheterocyclic compounds Pyrroles Substituted pyrroles Aromatic heteromonocyclic compounds Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Substituted pyrrole logp 2.56 ALOGPS logs -2.70 ALOGPS solubility 3.24e-01 g/l ALOGPS logp 2.25 ChemAxon pka_strongest_acidic 17.91 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 3-[(5-methylfuran-2-yl)methyl]-1H-pyrrole ChemAxon average_mass 161.2004 ChemAxon mono_mass 161.084063979 ChemAxon smiles CC1=CC=C(CC2=CNC=C2)O1 ChemAxon formula C10H11NO ChemAxon inchi InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-5,7,11H,6H2,1H3 ChemAxon inchikey WKJYTIFWOMZIGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 28.93 ChemAxon refractivity 48.25 ChemAxon polarizability 17.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8534 Specdb::MsIr 8535 Specdb::MsIr 8536 Specdb::CMs 14832 Specdb::CMs 159453 Specdb::MsMs 298756 Specdb::MsMs 298757 Specdb::MsMs 298758 Specdb::MsMs 340615 Specdb::MsMs 340616 Specdb::MsMs 340617 Specdb::MsMs 2391226 Specdb::MsMs 2391227 Specdb::MsMs 2391228 Specdb::MsMs 2575402 Specdb::MsMs 2575403 Specdb::MsMs 2575404 HMDB40042 #<Reference:0x000055ce32c9d0a0>