hexa-4,5-dienamide

C6H9NO — CID 172597112

IUPAChexa-4,5-dienamide
SMILESC=C=CCCC(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H2,7,8)
InChIKeyHZDCIRGUZFUYNX-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.59
Rot. Bonds3

About hexa-4,5-dienamide

hexa-4,5-dienamide (PubChem CID 172597112) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is hexa-4,5-dienamide.

Molecular Properties

Compound Namehexa-4,5-dienamide
PubChem CID172597112
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Namehexa-4,5-dienamide
SMILESC=C=CCCC(N)=O
InChIInChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H2,7,8)
InChIKeyHZDCIRGUZFUYNX-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pent-4-enamide
CID 11815293
5-Hexenamide
CID 10080368
N-phosphanylpent-4-enamide
CID 164680858
CID 102587061
CID 102587061
4-Fluoropent-4-enamide
CID 176581597
4-Iodopent-4-enamide
CID 23655993
Penta-3,4-dienamide
CID 56982769
2-Iodopent-4-enamide
CID 87665128
3-Methylidenepent-4-enamide
CID 88364307
Azane;pent-4-enamide
CID 88796898
N-iodopent-4-enamide
CID 139404906
Octa-5,6,7-trienamide
CID 140385745

Frequently Asked Questions

What is the IUPAC name of hexa-4,5-dienamide?
The IUPAC name of hexa-4,5-dienamide (CID 172597112) is hexa-4,5-dienamide.
What is the SMILES notation for hexa-4,5-dienamide?
The canonical SMILES for hexa-4,5-dienamide is C=C=CCCC(N)=O.
What is the InChIKey of hexa-4,5-dienamide?
The InChIKey is HZDCIRGUZFUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h3H,1,4-5H2,(H2,7,8).
What are the key properties of hexa-4,5-dienamide?
hexa-4,5-dienamide has a molecular weight of 111.14 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-4,5-dienamide is sourced from PubChem (CID 172597112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).