1.0 2010-04-08 22:10:43 UTC 2019-11-26 03:08:27 UTC FDB013458 3,4-Dihydro-5-propanoyl-2H-pyrrole Formed by thermal treatment of proline and glucose mixtures. Constituent of freshly popped corn aroma 1-(3,4-Dihydro-2H-pyrrol-5-yl)-1-propanone, 9CI 1-Pyrroline, 2-propanoyl 2-Propionyl-1-pyrroline C7H11NO 125.1683 125.084063979 1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one 1-(4,5-dihydro-3H-pyrrol-2-yl)propan-1-one 133447-37-7 CCC(=O)C1=NCCC1 InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3 OVNCGQSYSSYBPO-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. Pyrrolines Organic compounds Organoheterocyclic compounds Pyrrolines Aliphatic heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Ketimines Ketones Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Azacycle Carbonyl group Hydrocarbon derivative Imine Ketimine Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrroline logp 0.78 ALOGPS logs -1.71 ALOGPS solubility 2.43e+00 g/l ALOGPS logp 1.56 ChemAxon pka_strongest_acidic 19.02 ChemAxon pka_strongest_basic 3.84 ChemAxon iupac 1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one ChemAxon average_mass 125.1683 ChemAxon mono_mass 125.084063979 ChemAxon smiles CCC(=O)C1=NCCC1 ChemAxon formula C7H11NO ChemAxon inchi InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3 ChemAxon inchikey OVNCGQSYSSYBPO-UHFFFAOYSA-N ChemAxon polar_surface_area 29.43 ChemAxon refractivity 36.02 ChemAxon polarizability 14.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6716 Specdb::MsIr 6717 Specdb::CMs 11290 Specdb::CMs 162407 Specdb::MsMs 61947 Specdb::MsMs 61948 Specdb::MsMs 61949 Specdb::MsMs 118581 Specdb::MsMs 118582 Specdb::MsMs 118583 Specdb::MsMs 2377654 Specdb::MsMs 2377655 Specdb::MsMs 2377656 Specdb::MsMs 2561931 Specdb::MsMs 2561932 Specdb::MsMs 2561933 Specdb::NmrOneD 128128 Specdb::NmrOneD 128129 Specdb::NmrOneD 128130 Specdb::NmrOneD 128131 Specdb::NmrOneD 128132 Specdb::NmrOneD 128133 Specdb::NmrOneD 128134 Specdb::NmrOneD 128135 Specdb::NmrOneD 128136 Specdb::NmrOneD 128137 Specdb::NmrOneD 128138 Specdb::NmrOneD 128139 Specdb::NmrOneD 128140 Specdb::NmrOneD 128141 Specdb::NmrOneD 128142 Specdb::NmrOneD 128143 Specdb::NmrOneD 128144 Specdb::NmrOneD 128145 Specdb::NmrOneD 128146 Specdb::NmrOneD 128147 HMDB34883 #<Reference:0x000055ce32b494d8> Tortilla chip Type 2 specific fishy roast roasted