Basic information
- Standard SMILES
O=C(O)c1cc(-c2ccccn2)c(=O)n2c1CCC2- InChIKey
ZJUMGBFEYBCJFF-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 5-Oxo-6-(pyridine-2-yl)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
- IUPAC
- 5-oxo-6-pyridin-2-yl-2,3-dihydro-1H-indolizine-8-carboxylic acid
Names & synonyms
939411-22-0SCHEMBL924441ZJUMGBFEYBCJFF-UHFFFAOYSA-NDA-005485-Oxo-6-(pyridine-2-yl)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
Database identifiers
- PubChem CID
- 66844765
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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