Ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
Basic information
- CAS
82820-45-9- Standard SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(C)C(=O)c1ccccc12- InChIKey
YLWYQCCIYCMLBH-UHFFFAOYSA-N- Molecular formula
- C19H17N3O5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.11682065
Names & identifiers
- Preferred name
- Ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
- IUPAC
- ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
Names & synonyms
82820-45-9NSC364653ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylateDTXSID10320802NSC-364653Ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H-spiro[isoquinoline-4,4'-pyran]-3'-carboxylate
Database identifiers
- CAS
82820-45-9- PubChem CID
- 339206
- DTXSID
DTXSID10320802
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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