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Compound
4-Anilino-4-prop-2-enylcyclohexan-1-one
HCID
68696249
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
C=CCC1(Nc2ccccc2)CCC(=O)CC1
InChIKey
CYKFBHGIOSRMPY-UHFFFAOYSA-N
Molecular formula
C15H19NO
Average molar mass
229.32 g/mol
Names & identifiers
Preferred name
4-Anilino-4-prop-2-enylcyclohexan-1-one
IUPAC
4-anilino-4-prop-2-enylcyclohexan-1-one
Names & synonyms
SCHEMBL3570296
Database identifiers
PubChem CID
68696249
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
269
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Related reactions
2 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
125674
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
946508
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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