2,4-Pentadienamide, 2-cyano-5-(dimethylamino)-3-methyl-
Basic information
- CAS
93271-62-6- Standard SMILES
CC(C=CN(C)C)=C(C#N)C(N)=O- InChIKey
BQVXCXDDOBSDQZ-UHFFFAOYSA-N- Molecular formula
- C9H13N3O
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.10586205
Names & identifiers
- Preferred name
- 2,4-Pentadienamide, 2-cyano-5-(dimethylamino)-3-methyl-
- IUPAC
- 2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide
Names & synonyms
93271-62-62,4-Pentadienamide, 2-cyano-5-(dimethylamino)-3-methyl-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamideDTXSID10345050
Database identifiers
- CAS
93271-62-6- PubChem CID
- 601535
- DTXSID
DTXSID10345050
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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