1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:30 UTC FDB017988 Nepetalactam Isolated from a commercial sample of catnip oil (Nepeta cataria). Nepetalactam is found in tea and herbs and spices. C10H15NO 165.2322 165.115364107 4,7-dimethyl-1H,2H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyridin-1-one 4,7-dimethyl-2H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyridin-1-one 115421-73-3 CC1CCC2C1C(=O)NC=C2C InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12) UFGRADREDASLJW-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Tetrahydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteropolycyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic heteropolycyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Tetrahydropyridine logp 1.69 ALOGPS logs -1.74 ALOGPS solubility 3.04e+00 g/l ALOGPS melting_point Mp 95-96° logp 1.22 ChemAxon pka_strongest_acidic 13.31 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 4,7-dimethyl-1H,2H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyridin-1-one ChemAxon average_mass 165.2322 ChemAxon mono_mass 165.115364107 ChemAxon smiles CC1CCC2C1C(=O)NC=C2C ChemAxon formula C10H15NO ChemAxon inchi InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12) ChemAxon inchikey UFGRADREDASLJW-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 47.7 ChemAxon polarizability 18.71 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 27382 Specdb::NmrOneD 27383 Specdb::NmrOneD 27384 Specdb::NmrOneD 27385 Specdb::NmrOneD 27386 Specdb::NmrOneD 27387 Specdb::NmrOneD 27388 Specdb::NmrOneD 27389 Specdb::NmrOneD 27390 Specdb::NmrOneD 27391 Specdb::NmrOneD 27392 Specdb::NmrOneD 27393 Specdb::NmrOneD 27394 Specdb::NmrOneD 27395 Specdb::NmrOneD 27396 Specdb::NmrOneD 27397 Specdb::NmrOneD 27398 Specdb::NmrOneD 27399 Specdb::NmrOneD 27400 Specdb::NmrOneD 27401 Specdb::CMs 20185 Specdb::CMs 137762 Specdb::CMs 145496 Specdb::MsMs 51084 Specdb::MsMs 51085 Specdb::MsMs 51086 Specdb::MsMs 140958 Specdb::MsMs 140959 Specdb::MsMs 140960 Specdb::MsMs 2763070 Specdb::MsMs 2763071 Specdb::MsMs 2763072 Specdb::MsMs 2941975 Specdb::MsMs 2941976 Specdb::MsMs 2941977 HMDB38597 #<Reference:0x000055ce31a2d8c0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442