Basic information
- CAS
7403-59-0- Standard SMILES
CCOC(=O)C1(C#N)Cc2ccccc2CN1C(C)=O- InChIKey
JVTLOIPMODEIGL-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3-cyano-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
- IUPAC
- ethyl 2-acetyl-3-cyano-1,4-dihydroisoquinoline-3-carboxylate
Names & synonyms
ethyl 2-acetyl-3-cyano-1,2,3,4-tetrahydroisoquinoline-3-carboxylate7403-59-0NSC29450DTXSID30283046NSC-29450
Database identifiers
- CAS
7403-59-0- PubChem CID
- 232193
- DTXSID
DTXSID30283046
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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