4-Ethyl-6-hydroxy-4-methyl-2-oxo-2,3,4,5-tetrahydropyridine-3,5-dicarbonitrile--4-methylmorpholine (1/1)
Basic information
- CAS
61302-02-1- Standard SMILES
CCC1(C)C(C#N)C(=O)NC(=O)C1C#N.CN1CCOCC1- InChIKey
UPYAGEMAFBOAKL-UHFFFAOYSA-N- Molecular formula
- C15H22N4O3
- Average molar mass
- 306.36 g/mol
- Monoisotopic mass
- 306.16919058
Names & identifiers
- Preferred name
- 4-Ethyl-6-hydroxy-4-methyl-2-oxo-2,3,4,5-tetrahydropyridine-3,5-dicarbonitrile--4-methylmorpholine (1/1)
- IUPAC
- 4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile;4-methylmorpholine
Names & synonyms
61302-02-1DTXSID009767914-Ethyl-6-hydroxy-4-methyl-2-oxo-2,3,4,5-tetrahydropyridine-3,5-dicarbonitrile--4-methylmorpholine (1/1)RefChem:1070657DTXCID601404158
Database identifiers
- CAS
61302-02-1- PubChem CID
- 3045902
- DTXSID
DTXSID00976791
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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