4-Ethylhexa-2,4-dienamide

C8H13NO — CID 146360

IUPAC4-ethylhexa-2,4-dienamide
SMILESCCC(=CC)C=CC(=O)N
InChIInChI=1S/C8H13NO/c1-3-7(4-2)5-6-8(9)10/h3,5-6H,4H2,1-2H3,(H2,9,10)
InChIKeyJNXGEGMYGREXAA-UHFFFAOYSA-N
MW139.19 g/mol
LogP1.70
Rot. Bonds3

About 4-Ethylhexa-2,4-dienamide

4-Ethylhexa-2,4-dienamide (PubChem CID 146360) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is 4-ethylhexa-2,4-dienamide.

Molecular Properties

Compound Name4-Ethylhexa-2,4-dienamide
PubChem CID146360
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name4-ethylhexa-2,4-dienamide
SMILESCCC(=CC)C=CC(=O)N
InChIInChI=1S/C8H13NO/c1-3-7(4-2)5-6-8(9)10/h3,5-6H,4H2,1-2H3,(H2,9,10)
InChIKeyJNXGEGMYGREXAA-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity168

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 51.70
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

e,e-2,4-Octadienamide
CID 20157327
(2E,4E)-7-methylocta-2,4-dienoic acid amide
CID 16099485
cis-2-Pentenoic acid amide
CID 6432143
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 5275515
(E)-3,7-dimethylocta-2,6-dienamide
CID 21910777
FR 900411
CID 6439896
2,4-Dodecadienamide
CID 18946524
trans-2,4-Decadi-enamide
CID 19812070
Deca-2,4-dienamide
CID 53786362
Dodeca-2,4-dienamide
CID 57265506
Octa-2,4-dienamide
CID 73664437
(2E,4Z)-Deca-2,4-dienamide
CID 87184515

Frequently Asked Questions

What is the IUPAC name of 4-Ethylhexa-2,4-dienamide?
The IUPAC name of 4-Ethylhexa-2,4-dienamide (CID 146360) is 4-ethylhexa-2,4-dienamide.
What is the SMILES notation for 4-Ethylhexa-2,4-dienamide?
The canonical SMILES for 4-Ethylhexa-2,4-dienamide is CCC(=CC)C=CC(=O)N.
What is the InChIKey of 4-Ethylhexa-2,4-dienamide?
The InChIKey is JNXGEGMYGREXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7(4-2)5-6-8(9)10/h3,5-6H,4H2,1-2H3,(H2,9,10).
What are the key properties of 4-Ethylhexa-2,4-dienamide?
4-Ethylhexa-2,4-dienamide has a molecular weight of 139.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethylhexa-2,4-dienamide is sourced from PubChem (CID 146360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).