EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195721 - 3-Propyl-1,2-cyclopentanedione

ChEBI IDCHEBI:195721
ChEBI Name3-Propyl-1,2-cyclopentanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O2
Net Charge0
Average Mass140.182
Monoisotopic Mass140.08373
SMILESCCCC1CCC(=O)C1=O
InChIInChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h6H,2-5H2,1H3
InChIKeyQBJXYRWUKSOXQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Propyl-1,2-cyclopentanedione (CHEBI:195721) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
3-propylcyclopentane-1,2-dione
Manual XrefsDatabases
35014847ChemSpider
HMDB0039651HMDB