1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:45 UTC FDB019296 2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one Proline-specific Maillard product C11H15NO 177.2429 177.115364107 6,7-dimethyl-1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one 6,7-dimethyl-1H,2H,3H,6H,7H-cyclopenta[b]azepin-8-one CC1C(C)C2=C(NCCC=C2)C1=O InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3 IWVJMIGICFUHHO-UHFFFAOYSA-N belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. Azepines Organic compounds Organoheterocyclic compounds Azepines Aliphatic heteropolycyclic compounds Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Ketones Organic oxides Organopnictogen compounds Aliphatic heteropolycyclic compound Amine Azacycle Azepine Carbonyl group Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine logp 1.55 ALOGPS logs -1.73 ALOGPS solubility 3.30e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_basic 3.9 ChemAxon iupac 6,7-dimethyl-1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one ChemAxon average_mass 177.2429 ChemAxon mono_mass 177.115364107 ChemAxon smiles CC1C(C)C2=C(NCCC=C2)C1=O ChemAxon formula C11H15NO ChemAxon inchi InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3 ChemAxon inchikey IWVJMIGICFUHHO-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 55.13 ChemAxon polarizability 20.12 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14948 Specdb::CMs 166271 Specdb::MsMs 88875 Specdb::MsMs 88876 Specdb::MsMs 88877 Specdb::MsMs 151683 Specdb::MsMs 151684 Specdb::MsMs 151685 Specdb::MsMs 2765933 Specdb::MsMs 2765934 Specdb::MsMs 2765935 Specdb::MsMs 2943283 Specdb::MsMs 2943284 Specdb::MsMs 2943285 Specdb::NmrOneD 34382 Specdb::NmrOneD 34383 Specdb::NmrOneD 34384 Specdb::NmrOneD 34385 Specdb::NmrOneD 34386 Specdb::NmrOneD 34387 Specdb::NmrOneD 34388 Specdb::NmrOneD 34389 Specdb::NmrOneD 34390 Specdb::NmrOneD 34391 Specdb::NmrOneD 34392 Specdb::NmrOneD 34393 Specdb::NmrOneD 34394 Specdb::NmrOneD 34395 Specdb::NmrOneD 34396 Specdb::NmrOneD 34397 Specdb::NmrOneD 34398 Specdb::NmrOneD 34399 Specdb::NmrOneD 34400 Specdb::NmrOneD 34401 HMDB39667 #<Reference:0x000055ce31a500c8>