1.0 2010-04-08 22:07:58 UTC 2025-11-18 23:07:40 UTC FDB008192 4-Methyl-2-pyrroline Present in small quantities in the fruit of Piper nigrum (pepper). 4-Methyl-2-pyrroline is found in herbs and spices. 4-Methyl-2-pyrroline C5H9N 83.1317 83.073499293 3-methyl-2,3-dihydro-1H-pyrrole 3-methyl-2,3-dihydro-1H-pyrrole CC1CNC=C1 InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3 VLBGIFUKQYTZCN-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. Pyrrolines Organic compounds Organoheterocyclic compounds Pyrrolines Aliphatic heteromonocyclic compounds Allylamines Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Organopnictogen compounds Aliphatic heteromonocyclic compound Allylamine Amine Azacycle Enamine Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrroline Secondary aliphatic amine Secondary amine logp 0.43 ALOGPS logs 0.27 ALOGPS solubility 1.54e+02 g/l ALOGPS logp 0.59 ChemAxon pka_strongest_basic 10.4 ChemAxon iupac 3-methyl-2,3-dihydro-1H-pyrrole ChemAxon average_mass 83.1317 ChemAxon mono_mass 83.073499293 ChemAxon smiles CC1CNC=C1 ChemAxon formula C5H9N ChemAxon inchi InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3 ChemAxon inchikey VLBGIFUKQYTZCN-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 26.8 ChemAxon polarizability 9.75 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6118 Specdb::MsIr 6119 Specdb::MsIr 6120 Specdb::CMs 17919 Specdb::CMs 168723 Specdb::MsMs 65883 Specdb::MsMs 65884 Specdb::MsMs 65885 Specdb::MsMs 123330 Specdb::MsMs 123331 Specdb::MsMs 123332 Specdb::MsMs 2358528 Specdb::MsMs 2358529 Specdb::MsMs 2358530 Specdb::MsMs 2603159 Specdb::MsMs 2603160 Specdb::MsMs 2603161 HMDB0033529 Herbs and Spices Unknown generic