{"ymdb_id":"YMDB01451","created_at":"2011-07-25T20:39:26.000Z","updated_at":"2016-09-08T18:36:41.000Z","name":"2-acetyl-1-pyrroline","cas":"99583-29-6","state":null,"melting_point":null,"description":"2-Acetyl-1-pyrroline, abbreviated 2AP is an aroma compound and flavor that gives white bread, jasmine rice and basmati rice, the spice pandan (Pandanus amaryllifolius), and bread flowers (Vallaris glabra) their typical smell. 2-Acetyl-1-pyrroline and its structural homolog, 6-acetyl-2,3,4,5-tetrahydropyridine of similar smell, can be formed by Maillard reactions during heating of food such as in baked bread. Both compounds have odor thresholds below 0.06 ng/l.[Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"522834","cs_id":"456071","foodb_id":null,"wikipedia_link":"2-acetyl-1-pyrroline","biocyc_id":null,"iupac":"1-(3,4-dihydro-2H-pyrrol-5-yl)ethan-1-one","traditional_iupac":"2-acetyl-1-pyrroline","logp":"0.8588400190000001","pka":null,"alogps_solubility":"4.09e+00 g/l","alogps_logp":"0.19","alogps_logs":"-1.43","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"29.43","refractivity":"31.389899999999997","polarizability":"12.01402445253885","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.7718036484536803","pka_strongest_acidic":"18.440199812800223","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone","1-Pyrroline, 2-acetyl","2-Acetyl-1-pyrolline"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}