(E)-4-(2,5-dimethoxyanilino)pent-3-en-2-one
Basic information
- CAS
58867-99-5- Standard SMILES
COc1ccc(OC)c(N/C(C)=C/C(C)=O)c1- InChIKey
LEGOTNOJKXVSJS-VQHVLOKHSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- (E)-4-(2,5-dimethoxyanilino)pent-3-en-2-one
- IUPAC
- (E)-4-(2,5-dimethoxyanilino)pent-3-en-2-one
Names & synonyms
NSC24064058867-99-5DTXSID20418365NSC-240640(3E)-4-(2,5-Dimethoxyanilino)pent-3-en-2-one
Database identifiers
- CAS
58867-99-5- PubChem CID
- 5358239
- DTXSID
DTXSID20418365
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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