(2E,4E)-hexa-2,4-dienamide

C6H9NO — CID 6285467

IUPAC(2E,4E)-hexa-2,4-dienamide
SMILESC/C=C/C=C/C(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H2,7,8)/b3-2+,5-4+
InChIKeyJPXCVMIARYLSGU-MQQKCMAXSA-N
MW111.14 g/mol
LogP0.60
Rot. Bonds2

About (2E,4E)-hexa-2,4-dienamide

(2E,4E)-hexa-2,4-dienamide (PubChem CID 6285467) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienamide
PubChem CID6285467
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2E,4E)-hexa-2,4-dienamide
SMILESC/C=C/C=C/C(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H2,7,8)/b3-2+,5-4+
InChIKeyJPXCVMIARYLSGU-MQQKCMAXSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.60
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

2-Butenamide
CID 5354487
(2E,4E)-N-Hydroxy-2,4-hexadienamide
CID 5864959
e,e-2,4-Octadienamide
CID 20157327
N-Methylsorbamide
CID 14364541
cis-2-Butenoic acid amide
CID 5463109
Octa-2,4-dienamide
CID 73664437
But-2-enamide
CID 31877
Hepta-2,4-dienamide
CID 11693907
Muconic acid diamide
CID 55281494
(2Z,4Z)-hepta-2,4-dienamide
CID 11480441
Hexa-2,4-dienoic acid amide
CID 265085
Pentadienamide
CID 12228848

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-hexa-2,4-dienamide (CID 6285467) is (2E,4E)-hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-hexa-2,4-dienamide is C/C=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E)-hexa-2,4-dienamide?
The InChIKey is JPXCVMIARYLSGU-MQQKCMAXSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H2,7,8)/b3-2+,5-4+.
What are the key properties of (2E,4E)-hexa-2,4-dienamide?
(2E,4E)-hexa-2,4-dienamide has a molecular weight of 111.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienamide is sourced from PubChem (CID 6285467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).