Molecule ID: 522834

IUPAC Name: 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone

Description: The molecule is a pyrroline that is 1-pyrroline in which the hydrogen at position 2 is replaced by an acetyl group. It is an aroma and flavour compound present in jasmine rice and basmati rice. It is responsible for the 'popcorn' aroma in a large variety of cereal and food products. It is one of the key odourants of the crust of bread and considered to be responsible for the cracker-like odour properties. In bread, it is primarily generated during baking but amounts are influenced by ingredient composition and fermentation conditions. It has a role as a metabolite, a flavouring agent and a Maillard reaction product. It is a methyl ketone, a pyrroline and an acylimine.

SMILES: CC(=O)C1=NCCC1

SELFIES: [C][C][=Branch1][C][=O][C][=N][C][C][C][Ring1][Branch1]

InChI: InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3

Molecular Properties:
- Polar Surface Area: 29.4 Ų
- LogP: -0.4