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Compound
1-Acetylamino-4-ethyl-2,4-hexadiene
HCID
54529329
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC=C(C=CCNC(C)=O)CC
InChIKey
YVJRDKVIQOIUDQ-UHFFFAOYSA-N
Molecular formula
C10H17NO
Average molar mass
167.25 g/mol
Names & identifiers
Preferred name
1-Acetylamino-4-ethyl-2,4-hexadiene
IUPAC
N-(4-ethylhexa-2,4-dienyl)acetamide
Names & synonyms
SCHEMBL8920205
YVJRDKVIQOIUDQ-UHFFFAOYSA-N
1-acetylamino-4-ethyl-2,4-hexadiene
Database identifiers
PubChem CID
54529329
Properties
Computed structural properties
XLogP
2.1
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
192
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1219947
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2295000
As product
uspto-grants-1997_11
HRID
2396896
As product
uspto-grants-1996_02
Compound notes
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