1.0 2010-04-08 22:07:18 UTC 2025-11-18 23:02:50 UTC FDB006801 Norhygrine Norhygrine is a member of the class of compounds known as beta-amino ketones. Beta-amino ketones are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group. Norhygrine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Norhygrine can be found in pomegranate, which makes norhygrine a potential biomarker for the consumption of this food product. N-Demethylhygrine Norhygrine C7H13NO 127.1842 127.099714043 1-(pyrrolidin-2-yl)propan-2-one 1-(pyrrolidin-2-yl)propan-2-one CC(=O)CC1CCCN1 InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3 ZAJDAGLJUKMNJL-UHFFFAOYSA-N belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group. Beta-amino ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteromonocyclic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Pyrrolidines Aliphatic heteromonocyclic compound Amine Azacycle Beta-aminoketone Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrrolidine Secondary aliphatic amine Secondary amine logp 0.15 ALOGPS logs -0.13 ALOGPS solubility 9.47e+01 g/l ALOGPS logp 0.32 ChemAxon pka_strongest_acidic 18.53 ChemAxon pka_strongest_basic 10.79 ChemAxon iupac 1-(pyrrolidin-2-yl)propan-2-one ChemAxon average_mass 127.1842 ChemAxon mono_mass 127.099714043 ChemAxon smiles CC(=O)CC1CCCN1 ChemAxon formula C7H13NO ChemAxon inchi InChI=1S/C7H13NO/c1-6(9)5-7-3-2-4-8-7/h7-8H,2-5H2,1H3 ChemAxon inchikey ZAJDAGLJUKMNJL-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 36.24 ChemAxon polarizability 14.53 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61938 Specdb::MsMs 61939 Specdb::MsMs 61940 Specdb::MsMs 118566 Specdb::MsMs 118567 Specdb::MsMs 118568 Specdb::MsMs 3603347 Specdb::MsMs 3603348 Specdb::MsMs 3603349 Specdb::MsMs 3603350 Specdb::MsMs 3603351 Specdb::MsMs 3603352 Pomegranate Type 1 specific Punica granatum 22663