EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:179205 - 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione
| Formula | C13H17NO2 |
| Net Charge | 0 |
| Average Mass | 219.284 |
| Monoisotopic Mass | 219.12593 |
| SMILES | CC(=O)CCC(=O)c1c(C)cc2n1CCC2 |
| InChI | InChI=1S/C13H17NO2/c1-9-8-11-4-3-7-14(11)13(9)12(16)6-5-10(2)15/h8H,3-7H2,1-2H3 |
| InChIKey | NLJUZIDVCBWHAK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione (CHEBI:179205) is a pyrrolizines (CHEBI:38522) |
| IUPAC Name |
|---|
| 1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)pentane-1,4-dione |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040006 | HMDB |
| 30777389 | ChemSpider |