hex-5-enamide

C6H11NO — CID 10080368

IUPAChex-5-enamide
SMILESC=CCCCC(N)=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8)
InChIKeyRTKJOHNRJGFJQF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds4

About hex-5-enamide

hex-5-enamide (PubChem CID 10080368) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is hex-5-enamide.

Molecular Properties

Compound Namehex-5-enamide
PubChem CID10080368
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namehex-5-enamide
SMILESC=CCCCC(N)=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8)
InChIKeyRTKJOHNRJGFJQF-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-5-enamide?
The IUPAC name of hex-5-enamide (CID 10080368) is hex-5-enamide.
What is the SMILES notation for hex-5-enamide?
The canonical SMILES for hex-5-enamide is C=CCCCC(N)=O.
What is the InChIKey of hex-5-enamide?
The InChIKey is RTKJOHNRJGFJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H2,7,8).
What are the key properties of hex-5-enamide?
hex-5-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enamide is sourced from PubChem (CID 10080368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).