5,5-Dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-one
Basic information
- CAS
58137-30-7- Standard SMILES
CC1(C)CC(=O)C(CC(=O)c2ccccc2)=C(NNc2ccncc2)C1- InChIKey
GLTNWNDCDLFOKZ-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.17902698
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-one
- IUPAC
- 5,5-dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-one
Names & synonyms
58137-30-75,5-dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-oneNSC282138CHEMBL3276257DTXSID90314365NSC-282138DS-0056085,5-Dimethyl-2-(2-oxo-2-phenylethyl)-3-[2-(pyridin-4-yl)hydrazin-1-yl]cyclohex-2-en-1-one
Database identifiers
- CAS
58137-30-7- PubChem CID
- 323252
- DTXSID
DTXSID90314365- ChEMBL
CHEMBL3276257
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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