Basic information
- CAS
371209-78-8- Standard SMILES
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(N(C)C)cc1- InChIKey
UQPKUFIQGLBPFN-UHFFFAOYSA-N- Molecular formula
- C20H26N2O4
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
- IUPAC
- ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
- English name
- ethyl 4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
- Molecular formula
- C20H26N2O4
- Molecular weight
- 358.43
Names & synonyms
ethyl 4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylateethyl (4Z)-4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate1H-Pyrrole-3-carboxylic acid, 4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-1-(2-methoxyethyl)-2-methyl-5-oxo-, ethyl ester
Database identifiers
- CAS
371209-78-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Boiling point
- 541.1 · 541.1±50.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.24(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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