1.0 2010-04-08 22:13:37 UTC 2019-11-26 03:15:57 UTC FDB018276 2,4-Dodecadienoic acid pyrrolidide Constituent of pepper (Piper nigrum) (Piperaceae). 2,4-Dodecadienoic acid pyrrolidide is found in herbs and spices and pepper (spice). [(2E,4E)-Dodecadienoyl]-pyrrolidine 1-(2,4-Dodecadienoyl)pyrrolidine 2,4-Dodecadienoic acid pyrrolidide C16H27NO 249.3917 249.209264491 (2E,4E)-1-(pyrrolidin-1-yl)dodeca-2,4-dien-1-one (2E,4E)-1-(pyrrolidin-1-yl)dodeca-2,4-dien-1-one 117137-69-6 CCCCCCC\C=C\C=C\C(=O)N1CCCC1 InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+ UAIYHWLHQSKQLW-PEGOPYGQSA-N belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-acylpyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines N-acylpyrrolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary carboxylic acid amide N-acylpyrrolidine logp 5.06 ALOGPS logs -5.39 ALOGPS solubility 1.02e-03 g/l ALOGPS logp 4.16 ChemAxon pka_strongest_basic 2.07 ChemAxon iupac (2E,4E)-1-(pyrrolidin-1-yl)dodeca-2,4-dien-1-one ChemAxon average_mass 249.3917 ChemAxon mono_mass 249.209264491 ChemAxon smiles CCCCCCC\C=C\C=C\C(=O)N1CCCC1 ChemAxon formula C16H27NO ChemAxon inchi InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+ ChemAxon inchikey UAIYHWLHQSKQLW-PEGOPYGQSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 80.05 ChemAxon polarizability 32.03 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22401 Specdb::CMs 134180 Specdb::CMs 141914 Specdb::MsMs 80679 Specdb::MsMs 80680 Specdb::MsMs 80681 Specdb::MsMs 141612 Specdb::MsMs 141613 Specdb::MsMs 141614 Specdb::MsMs 2715820 Specdb::MsMs 2715821 Specdb::MsMs 2715822 Specdb::MsMs 2966976 Specdb::MsMs 2966977 Specdb::MsMs 2966978 HMDB38841 #<Reference:0x000055ce325ac5c0> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216