Basic information
- CAS
50708-24-2- Standard SMILES
CCCCn1c(C)cc2c(c1=O)COC(=O)C2CC- InChIKey
CXRXPGOXCWQNTA-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 7-Butyl-4-ethyl-6-methyl-1h-pyrano[3,4-c]pyridine-3,8(4h,7h)-dione
- IUPAC
- 7-butyl-4-ethyl-6-methyl-1,4-dihydropyrano[3,4-c]pyridine-3,8-dione
Names & synonyms
7-butyl-4-ethyl-6-methyl-1h-pyrano[3,4-c]pyridine-3,8(4h,7h)-dione50708-24-2NSC160437DTXSID80303703NSC-160437
Database identifiers
- CAS
50708-24-2- PubChem CID
- 293604
- DTXSID
DTXSID80303703
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…