CHEBI:41456 - cyclopentane-1,3-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclopentane-1,3-dione
ChEBI ID CHEBI:41456
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36127, CHEBI:41454
Supplier Information
Download Molfile XML SDF
Formula C5H6O2
Net Charge 0
Average Mass 98.09994
Monoisotopic Mass 98.03678
InChI InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey LOGSONSNCYTHPS-UHFFFAOYSA-N
SMILES O=C1CCC(=O)C1
ChEBI Ontology
Outgoing cyclopentane-1,3-dione (CHEBI:41456) is a β-diketone (CHEBI:67265)
cyclopentane-1,3-dione (CHEBI:41456) is a cyclopentanones (CHEBI:36140)
IUPAC Name
cyclopentane-1,3-dione
Synonyms Sources
1,3-cyclopentadione NIST Chemistry WebBook
1,3-cyclopentanedione NIST Chemistry WebBook
Manual Xref Database
CEJ PDBeChem
View more database links
Registry Numbers Types Sources
1362728 Beilstein Registry Number Beilstein
200797 Gmelin Registry Number Gmelin
3859-41-4 CAS Registry Number NIST Chemistry WebBook
3859-41-4 CAS Registry Number ChemIDplus
Last Modified
05 September 2012