5-((4-(Dimethylamino)phenyl)methylene)-1,2,5,6-tetrahydro-1-(2-hydroxyethyl)-4-methyl-2,6-dioxonicotinonitrile
Basic information
- CAS
77001-54-8- Standard SMILES
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(N(C)C)cc1- InChIKey
RAAIJYFEUBHAPK-GDNBJRDFSA-N- Molecular formula
- C18H19N3O3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.14264148
Names & identifiers
- Preferred name
- 5-((4-(Dimethylamino)phenyl)methylene)-1,2,5,6-tetrahydro-1-(2-hydroxyethyl)-4-methyl-2,6-dioxonicotinonitrile
- IUPAC
- (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Names & synonyms
77001-54-8EINECS 278-589-05-((4-(Dimethylamino)phenyl)methylene)-1,2,5,6-tetrahydro-1-(2-hydroxyethyl)-4-methyl-2,6-dioxonicotinonitrileRAAIJYFEUBHAPK-GDNBJRDFSA-N
Database identifiers
- CAS
77001-54-8- PubChem CID
- 5822136
- EC Number
- 278-589-0
- Nikkaji
- J309.340I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 631
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