(2E,4E)-N-ethylhexa-2,4-dienamide

C8H13NO — CID 11434990

IUPAC(2E,4E)-N-ethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3+,7-6+
InChIKeyFZNCPAQPZYDRKC-TWTPFVCWSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds3

About (2E,4E)-N-ethylhexa-2,4-dienamide

(2E,4E)-N-ethylhexa-2,4-dienamide (PubChem CID 11434990) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4E)-N-ethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-ethylhexa-2,4-dienamide
PubChem CID11434990
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4E)-N-ethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3+,7-6+
InChIKeyFZNCPAQPZYDRKC-TWTPFVCWSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
CID 13405139
Allylacrylamide
CID 95149
2,5-dihydro-1H-pyrrol-2-one
CID 637997
N-Ethyl acrylamide
CID 9793705
(E)-N-methylbut-2-enamide
CID 12501466
N-(2-Methylpropyl)hexa-2,4-dienamide
CID 71375318
N-Methylsorbamide
CID 14364541
(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
2-Butenamide, N-2-propenyl-
CID 5354840
(E)-N-(2-methylpropyl)but-2-enamide
CID 10975585
2,4-Hexadienamide, N,N-diethyl-
CID 5368935

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-ethylhexa-2,4-dienamide (CID 11434990) is (2E,4E)-N-ethylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-ethylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-ethylhexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC.
What is the InChIKey of (2E,4E)-N-ethylhexa-2,4-dienamide?
The InChIKey is FZNCPAQPZYDRKC-TWTPFVCWSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3+,7-6+.
What are the key properties of (2E,4E)-N-ethylhexa-2,4-dienamide?
(2E,4E)-N-ethylhexa-2,4-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethylhexa-2,4-dienamide is sourced from PubChem (CID 11434990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).