Basic information
- CAS
69636-64-2- Standard SMILES
CCCCN1C(=O)C(C#N)=C(C)/C(=C/C=C/c2c(C)c(C#N)c(=O)n(CCCC)c2O)C1=O.c1ccncc1- InChIKey
IFBCJJRSSJGBGK-AOMBFBIOSA-N- Molecular formula
- C30H33N5O4
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.25325455
Names & identifiers
- Preferred name
- Einecs 274-060-3
- IUPAC
- 1-butyl-5-[(E,3Z)-3-(1-butyl-5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;pyridine
Names & synonyms
EINECS 274-060-369636-64-21-Butyl-5-(3-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene)-1,2,5,6-tetrahydro-4-methyl-2,6-dioxopyridine-3-carbonitrile, compound with pyridine (1:1)
Database identifiers
- CAS
69636-64-2- PubChem CID
- 44147403
- EC Number
- 274-060-3
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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