1.0 2010-04-08 22:14:31 UTC 2015-07-21 06:37:46 UTC FDB019689 2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine Proline-derived Maillard product C13H15NO 201.2643 201.115364107 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine 2-methyl-3-(5-methylfuran-2-yl)-6,7-dihydro-5H-pyrrolizine 97073-02-4 CC1=CC=C(O1)C1=C(C)C=C2CCCN12 InChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3 LDTMEECXWUGWBZ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolizines. Pyrrolizines are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring. Pyrrolizines Organic compounds Organoheterocyclic compounds Pyrrolizines Aromatic heteropolycyclic compounds Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrole Pyrrolizine Substituted pyrrole logp 3.32 ALOGPS logs -3.46 ALOGPS solubility 7.04e-02 g/l ALOGPS logp 2.87 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 6-methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine ChemAxon average_mass 201.2643 ChemAxon mono_mass 201.115364107 ChemAxon smiles CC1=CC=C(O1)C1=C(C)C=C2CCCN12 ChemAxon formula C13H15NO ChemAxon inchi InChI=1S/C13H15NO/c1-9-8-11-4-3-7-14(11)13(9)12-6-5-10(2)15-12/h5-6,8H,3-4,7H2,1-2H3 ChemAxon inchikey LDTMEECXWUGWBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 18.07 ChemAxon refractivity 61.25 ChemAxon polarizability 23.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22589 Specdb::CMs 137059 Specdb::CMs 144793 Specdb::MsMs 316162 Specdb::MsMs 316163 Specdb::MsMs 316164 Specdb::MsMs 362341 Specdb::MsMs 362342 Specdb::MsMs 362343 Specdb::MsMs 2738194 Specdb::MsMs 2738195 Specdb::MsMs 2738196 Specdb::MsMs 2971080 Specdb::MsMs 2971081 Specdb::MsMs 2971082 Specdb::MsIr 8464 Specdb::MsIr 8465 HMDB40007 #<Reference:0x000055ce2e8bd7b8>