1.0 2010-04-08 22:04:42 UTC 2020-02-24 19:10:14 UTC FDB000781 9-Azabicyclo[3.3.1]nonan-3-one Found in pomegranate (Punica granatum) bark 9-Azabicyclo(3.3.1)nonan-3-one alpha-Inylbenzyl alcohol Alpha-phosphinylbenzyl alcohol Granatonine Norgranatan-3-one Norpseudopelletierine C8H13NO 139.1949 139.099714043 9-azabicyclo[3.3.1]nonan-3-one 9-azabicyclo[3.3.1]nonan-3-one 4390-39-0 O=C1CC2CCCC(C1)N2 InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2 JIYPUEZSSJAXBO-UHFFFAOYSA-N belongs to the class of organic compounds known as piperidinones. Piperidinones are compounds containing a piperidine ring which bears a ketone. Piperidinones Organic compounds Organoheterocyclic compounds Piperidines Piperidinones Aliphatic heteropolycyclic compounds Azacyclic compounds Cyclic ketones Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aliphatic heteropolycyclic compound Amine Azacycle Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidinone Secondary aliphatic amine Secondary amine logp 0.47 ALOGPS logs -0.74 ALOGPS solubility 2.56e+01 g/l ALOGPS melting_point Mp 123° logp 0.76 ChemAxon pka_strongest_acidic 18.09 ChemAxon pka_strongest_basic 8.19 ChemAxon iupac 9-azabicyclo[3.3.1]nonan-3-one ChemAxon average_mass 139.1949 ChemAxon mono_mass 139.099714043 ChemAxon smiles O=C1CC2CCCC(C1)N2 ChemAxon formula C8H13NO ChemAxon inchi InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2 ChemAxon inchikey JIYPUEZSSJAXBO-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 38.65 ChemAxon polarizability 15.19 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11742 Specdb::CMs 137501 Specdb::CMs 145235 Specdb::MsMs 44271 Specdb::MsMs 44272 Specdb::MsMs 44273 Specdb::MsMs 158619 Specdb::MsMs 158620 Specdb::MsMs 158621 Specdb::MsMs 3051158 Specdb::MsMs 3051159 Specdb::MsMs 3051160 Specdb::MsMs 3119227 Specdb::MsMs 3119228 Specdb::MsMs 3119229 Specdb::NmrOneD 158810 Specdb::NmrOneD 158811 Specdb::NmrOneD 158812 Specdb::NmrOneD 158813 Specdb::NmrOneD 158814 Specdb::NmrOneD 158815 Specdb::NmrOneD 158816 Specdb::NmrOneD 158817 Specdb::NmrOneD 158818 Specdb::NmrOneD 158819 Specdb::NmrOneD 158820 Specdb::NmrOneD 158821 Specdb::NmrOneD 158822 Specdb::NmrOneD 158823 Specdb::NmrOneD 158824 Specdb::NmrOneD 158825 Specdb::NmrOneD 158826 Specdb::NmrOneD 158827 Specdb::NmrOneD 158828 Specdb::NmrOneD 158829 HMDB29613 #<Reference:0x000055ce30640c90> Fruits Unknown generic Pomegranate Type 1 specific Punica granatum 22663