2D structurePubChem CID 96223
Identita
2-Oxocyclohexanepropiononitrile
Neuvedeno · C9H13NO
01Identita
| Lazychem ID | LC-117596 |
|---|---|
| CAS RN | Neuvedeno |
| PubChem CID | 96223 |
| Molecular formula | C9H13NO |
| Molecular weight | 151.21 g/mol |
| IUPAC name | 3-(2-oxocyclohexyl)propanenitrile |
| InChIKey | SPTVCXKSSRBTMN-UHFFFAOYSA-N |
02Struktura a stereochemie
2D structurePubChem CID 96223
The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CCC(=O)C(C1)CCC#N |
|---|---|
| InChI | Neuvedeno |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stav v Indii
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Názvy a vztahy
API a mateřské léčivo
Neuvedeno
Názvy a vztahy
06Zdroje
- S01PubChem CID 96223
Structure and machine-readable chemical identifiers.