Ethyl 1,2,3,5,6,7-hexahydro-2,5,5-trimethyl-1,3,7-trioxoimidazo(1,5-a)pyridine-8-carboxylate
Basic information
- CAS
179611-82-6- Standard SMILES
CCOC(=O)C1=C2C(=O)N(C)C(=O)N2C(C)(C)CC1=O- InChIKey
NNYYSTJKQMIJPC-UHFFFAOYSA-N- Molecular formula
- C13H16N2O5
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.10592162
Names & identifiers
- Preferred name
- Ethyl 1,2,3,5,6,7-hexahydro-2,5,5-trimethyl-1,3,7-trioxoimidazo(1,5-a)pyridine-8-carboxylate
- IUPAC
- ethyl 2,5,5-trimethyl-1,3,7-trioxo-6H-imidazo[1,5-a]pyridine-8-carboxylate
Names & synonyms
179611-82-6Ethyl 1,2,3,5,6,7-hexahydro-2,5,5-trimethyl-1,3,7-trioxoimidazo[1,5-a]pyridine-8-carboxylateEthyl 1,2,3,5,6,7-hexahydro-2,5,5-trimethyl-1,3,7-trioxoimidazo(1,5-a)pyridine-8-carboxylateRefChem:341872NNYYSTJKQMIJPC-UHFFFAOYSA-NDTXSID901119956Ethyl 2,5,5-trimethyl-1,3,7-trioxo-1,2,3,5,6,7-hexahydroimidazo[1,5-a]pyridine-8-carboxylateImidazolo[1,5-a]pyrimidine-8-carboxylic acid, 1,2,3,5,6,7-hexahydro-2,5,5-trimethyl-1,3,7-trioxo-, ethyl esterEthyl 2,5,5-trimethyl-1,3,7-trioxo-1,2,3,5,6,7-hexahydroimidazo[1,5-a]pyridine-8-carboxylate #
Database identifiers
- CAS
179611-82-6- PubChem CID
- 558303
- DTXSID
DTXSID901119956
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 561
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Related reactions
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Compound notes
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