Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c[nH]cc2C1=O- InChIKey
FHRVAHAYGGIFQX-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 4-Oxo-2,4,6,7-tetrahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL6216579FHRVAHAYGGIFQX-UHFFFAOYSA-N4-oxo-2,4,6,7-tetrahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 12967141
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Related reactions
2 records
Compound notes
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