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4-Anilino-4-prop-2-enylcyclohexan-1-one

HCID 68696249
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record
HRID 125674 reaction equation
HRID 125674As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 946508 reaction equation
HRID 946508As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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