2-(2-Cycloheptylidenehydrazinyl)cyclohepta-2,4,6-trien-1-one
Basic information
- CAS
55438-36-3- Standard SMILES
O=c1cccccc1NN=C1CCCCCC1- InChIKey
YGYAZUKPUIWLCE-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 2-(2-Cycloheptylidenehydrazinyl)cyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-(2-cycloheptylidenehydrazinyl)cyclohepta-2,4,6-trien-1-one
Names & synonyms
2-(2-cycloheptylidenehydrazinyl)cyclohepta-2,4,6-trien-1-one55438-36-3MLS000768838CHEMBL1374706DTXSID701331756HMS2801E15STL299898AKOS022138379SMR0004321412-(2-cycloheptylidenehydrazinyl)cyclohepta-2,4,6-trienone2-(N'-Cycloheptylidene-hydrazino)-cyclohepta-2,4,6-trienone
Database identifiers
- CAS
55438-36-3- PubChem CID
- 949237
- DTXSID
DTXSID701331756- ChEMBL
CHEMBL1374706
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Solubility19.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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