Basic information
- CAS
128353-00-4- Standard SMILES
CCOC(=O)c1cc(C(C)=O)c2c3ccccc3ccn12- InChIKey
SJSBQNAKYRVURK-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- Ethyl 1-acetylpyrrolo[2,1-A]isoquinoline-3-carboxylate
- IUPAC
- ethyl 1-acetylpyrrolo[2,1-a]isoquinoline-3-carboxylate
Names & synonyms
128353-00-4ETHYL 1-ACETYLPYRROLO[2,1-A]ISOQUINOLINE-3-CARBOXYLATEDTXSID50563019
Database identifiers
- CAS
128353-00-4- PubChem CID
- 14688917
- DTXSID
DTXSID50563019- Nikkaji
- J284.604G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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