14-Azatetracyclo[8.5.1.01,12.06,16]hexadeca-6(16),7,9-triene-11,13,15-trione
Basic information
- CAS
76059-01-3- Standard SMILES
O=C1NC(=O)C23CCCCc4cccc(c42)C(=O)C13- InChIKey
CAUZCEGHOIHNJU-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 14-Azatetracyclo[8.5.1.01,12.06,16]hexadeca-6(16),7,9-triene-11,13,15-trione
- IUPAC
- 14-azatetracyclo[8.5.1.01,12.06,16]hexadeca-6(16),7,9-triene-11,13,15-trione
Names & synonyms
NSC34751076059-01-3NSC-347510DTXSID209973873-Hydroxy-8,9,10,11-tetrahydro-1H-benzo[3,4]azuleno[1,8a-c]pyrrole-1,4(3aH)-dione
Database identifiers
- CAS
76059-01-3- PubChem CID
- 335852
- DTXSID
DTXSID20997387
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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