7-butyl-4-ethyl-4-hydroxy-6-methyl-1H-pyrano[3,4-c]pyridine-3,8-dione
Basic information
- CAS
50708-25-3- Standard SMILES
CCCCn1c(C)cc2c(c1=O)COC(=O)C2(O)CC- InChIKey
BWKHIMUAMXEDNZ-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 7-butyl-4-ethyl-4-hydroxy-6-methyl-1H-pyrano[3,4-c]pyridine-3,8-dione
- IUPAC
- 7-butyl-4-ethyl-4-hydroxy-6-methyl-1H-pyrano[3,4-c]pyridine-3,8-dione
Names & synonyms
50708-25-37-butyl-4-ethyl-4-hydroxy-6-methyl-1H-pyrano[3,4-c]pyridine-3,8-dioneNSC1604387-butyl-4-ethyl-4-hydroxy-6-methyl-1h-pyrano[3,4-c]pyridine-3,8(4h,7h)-dioneDTXSID40303704NSC-160438
Database identifiers
- CAS
50708-25-3- PubChem CID
- 293605
- DTXSID
DTXSID40303704
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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