ethyl (6aS,9aS)-6a-hydroxy-5-oxo-6,7,8,9-tetrahydrocyclopenta[c][2,7]naphthyridine-9a-carboxylate
Basic information
- CAS
85313-06-0- Standard SMILES
CCOC(=O)[C@]12CCC[C@@]1(O)NC(=O)c1cnccc12- InChIKey
MRCNQBHIPILJCE-KGLIPLIRSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- ethyl (6aS,9aS)-6a-hydroxy-5-oxo-6,7,8,9-tetrahydrocyclopenta[c][2,7]naphthyridine-9a-carboxylate
- IUPAC
- ethyl (6aS,9aS)-6a-hydroxy-5-oxo-6,7,8,9-tetrahydrocyclopenta[c][2,7]naphthyridine-9a-carboxylate
Names & synonyms
NSC32902785313-06-0DTXSID00318334NSC-329027Ethyl (6aS,9aS)-6a-hydroxy-5-oxo-5,6,6a,7,8,9-hexahydro-9aH-cyclopenta[c][2,7]naphthyridine-9a-carboxylate
Database identifiers
- CAS
85313-06-0- PubChem CID
- 332335
- DTXSID
DTXSID00318334
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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