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1-Acetylamino-4-ethyl-2,4-hexadiene

HCID 54529329
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound 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

SCHEMBL8920205YVJRDKVIQOIUDQ-UHFFFAOYSA-N1-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

Related reactions

3 records
New reaction record
HRID 1219947 reaction equation
HRID 1219947As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2295000 reaction equation
HRID 2295000As productuspto-grants-1997_11
HRID 2396896 reaction equation
HRID 2396896As productuspto-grants-1996_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes