Basic information
- CAS
91255-15-1- Standard SMILES
COc1ccc(NC=C(C#N)C(N)=O)cc1- InChIKey
LYMOWKYVIPPRKB-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 2-Propenamide, 2-cyano-3-[(4-methoxyphenyl)amino]-
- IUPAC
- 2-cyano-3-(4-methoxyanilino)prop-2-enamide
Names & synonyms
2-cyano-3-(4-methoxyanilino)prop-2-enamide91255-15-12-Propenamide, 2-cyano-3-[(4-methoxyphenyl)amino]-CBMicro_019462DTXSID80393366
Database identifiers
- CAS
91255-15-1- PubChem CID
- 3530207
- DTXSID
DTXSID80393366
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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