3-Oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
Basic information
- CAS
73198-04-6- Standard SMILES
O=C(O)C1Cc2c([nH]c3ccccc23)C2CCC(=O)N12- InChIKey
NVWTUEWEKRBVPS-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- 3-Oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
- IUPAC
- 3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid
Names & synonyms
73198-04-63-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acidNSC240618NSC 240618DTXSID60311240AKOS004902074NSC-2406183-Oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
Database identifiers
- CAS
73198-04-6- PubChem CID
- 315423
- DTXSID
DTXSID60311240
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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