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N,N-diethyl-4-oxopent-2-enamide

HCID 54094604
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCN(CC)C(=O)C=CC(C)=O
InChIKey
MWFWHHCCKXEVOT-UHFFFAOYSA-N
Molecular formula
C9H15NO2
Average molar mass
169.22 g/mol

Names & identifiers

Preferred name
N,N-diethyl-4-oxopent-2-enamide
IUPAC
N,N-diethyl-4-oxopent-2-enamide

Names & synonyms

SCHEMBL2546944

Database identifiers

PubChem CID
54094604

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
193

Related reactions

3 records
New reaction record
HRID 161374 reaction equation
HRID 161374As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1147546 reaction equation
HRID 1147546As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2161926 reaction equation
HRID 2161926As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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