5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Product Specifications
- CAS
- 90401-84-6
- MF
- C11H9NO
- Appearance
- off-white solid
- Synonym(s)
- 5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile; 1-oxo-1,2,3,4-tetrahydronaphthalen-6-carbonitrile; 6-cyano-tetralin-1-one; 1,2,3,4-tetrahydro-1-oxonaphthalen-6-carbonitrile; 5-oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile; 1-oxo-1,2,3,4-tetrahydro-6-naphthyl cyanide
- Shipping
- ambient temperature
- Storage
- 2-8°C
5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile corresponds to CAS 90401-84-6 and formula C11H9NO. PubChem resolves this registry number to one compound, CID 10899132, with molecular weight 171.19. The verified connectivity appears as SMILES C1CC2=C(C=CC(=C2)C#N)C(=O)C1, while InChIKey FGWRKZJKRYCDOF-UHFFFAOYSA-N identifies the same graph. It is a single neutral component without defined stereochemistry.
The structure is a partially saturated naphthalene framework containing a ketone at position 5 and a carbonitrile at position 2. The nitrile contributes one carbon and the molecule's single nitrogen; the sole oxygen is the ketone oxygen. PubChem's IUPAC name, 5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile, expresses the same graph through hydrogenation notation. Its official synonyms include 6-cyano-1-tetralone, the shorter common name. The preferred Title above makes both the carbonyl and nitrile positions explicit. In the SMILES, the carbonyl lies within the saturated ring, whereas the nitrile projects from the aromatic portion.
For a structure-specific inquiry, provide Rlavie with CAS 90401-84-6, the systematic H1, and the requested quantity, together with a MOL or SDF structure file. The fused-ring saturation, 5-ketone, and 2-carbonitrile can then be checked against PubChem CID 10899132, the complete SMILES, and InChIKey FGWRKZJKRYCDOF-UHFFFAOYSA-N before request-specific details are reviewed. Formula C11H9NO cannot distinguish the location of either functional group, and “cyano tetralone” alone leaves both positions undefined.