Food Additive Profile
Pubchem ID 15801179
CAS 99583-29-6
IUPAC name 1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
Synonyms -
Categories Flavor enhancer
SMILES CC(=O)C1CCC=N1
InCheykey InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h4,6H,2-3H2,1H3
Natural nan
E No. -
GHS Siginal Warning
ADI Value -

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Physicochemical Properties
Molecular weight Hydrogen Bond Donor count Hydrogen Bond Acceptor count Rotatable bonds Topological Polor Surface Area
111.144 0 2 1 29.4

*Prediction Method

ADME Predicted Parameters
Human Intestinal Absorption Aqueous Solubility Level Plasma Protein Binding Level Blood Brain Barrier Penetration CYP2DE Binding Level Hepatotoxicity Level
Moderate Absorption Optimal Solubility Weaker / Non binder Low Non - Inhibitor Toxic

*Prediction Method

Toxicity Predicted Parameters
Carcinogenicity Developmental Toxicity Mutagenicity (Ames) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability
Non-Carcinogen Non-Toxic Non-Mutagen Irritant Irritant Irritant Degradable

References




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