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N,N-diethyl-4-hydroxypent-2-enamide (HCID 53669313)|Huagongshe
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Compound
N,N-diethyl-4-hydroxypent-2-enamide
HCID
53669313
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCN(CC)C(=O)C=CC(C)O
InChIKey
AYUXFENPDFURJQ-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol
Names & identifiers
Preferred name
N,N-diethyl-4-hydroxypent-2-enamide
IUPAC
N,N-diethyl-4-hydroxypent-2-enamide
Names & synonyms
SCHEMBL6641594
Database identifiers
PubChem CID
53669313
Properties
Computed structural properties
XLogP
0.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
162
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
86773
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
161374
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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