(3E)-hexa-3,5-dienamide

C6H9NO — CID 22123465

IUPAC(3E)-hexa-3,5-dienamide
SMILESC=C/C=C/CC(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H2,7,8)/b4-3+
InChIKeyKWLWGUGSFGMZEJ-ONEGZZNKSA-N
MW111.14 g/mol
LogP0.60
Rot. Bonds3

About (3E)-hexa-3,5-dienamide

(3E)-hexa-3,5-dienamide (PubChem CID 22123465) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3E)-hexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-hexa-3,5-dienamide
PubChem CID22123465
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3E)-hexa-3,5-dienamide
SMILESC=C/C=C/CC(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H2,7,8)/b4-3+
InChIKeyKWLWGUGSFGMZEJ-ONEGZZNKSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

beta-Hydromuconamide
CID 5458982
Hepta-2,4-dienamide
CID 11693907
(Z)-hex-3-enediamide
CID 5771693
(E)-hex-3-enamide
CID 15937545
(2Z,4Z)-hepta-2,4-dienamide
CID 11480441
2,5-Cyclohexadiene-1-carboxamide
CID 24977690
3-Pentenamide, (E)-
CID 53856717
CID 53996891
CID 53996891
Seleninamide
CID 129716137
11-Tetradecatetraenamide
CID 129847889
12-Tetradecapentaenamide
CID 129847893
8-Decatrienamide
CID 129848103

Frequently Asked Questions

What is the IUPAC name of (3E)-hexa-3,5-dienamide?
The IUPAC name of (3E)-hexa-3,5-dienamide (CID 22123465) is (3E)-hexa-3,5-dienamide.
What is the SMILES notation for (3E)-hexa-3,5-dienamide?
The canonical SMILES for (3E)-hexa-3,5-dienamide is C=C/C=C/CC(N)=O.
What is the InChIKey of (3E)-hexa-3,5-dienamide?
The InChIKey is KWLWGUGSFGMZEJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H2,7,8)/b4-3+.
What are the key properties of (3E)-hexa-3,5-dienamide?
(3E)-hexa-3,5-dienamide has a molecular weight of 111.14 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-hexa-3,5-dienamide is sourced from PubChem (CID 22123465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).