4-methylpent-4-enamide

C6H11NO — CID 20520569

IUPAC4-methylpent-4-enamide
SMILESC=C(C)CCC(N)=O
InChIInChI=1S/C6H11NO/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H2,7,8)
InChIKeyYQFFOEXPURTKPQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds3

About 4-methylpent-4-enamide

4-methylpent-4-enamide (PubChem CID 20520569) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-methylpent-4-enamide.

Molecular Properties

Compound Name4-methylpent-4-enamide
PubChem CID20520569
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-methylpent-4-enamide
SMILESC=C(C)CCC(N)=O
InChIInChI=1S/C6H11NO/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H2,7,8)
InChIKeyYQFFOEXPURTKPQ-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-4-enamide?
The IUPAC name of 4-methylpent-4-enamide (CID 20520569) is 4-methylpent-4-enamide.
What is the SMILES notation for 4-methylpent-4-enamide?
The canonical SMILES for 4-methylpent-4-enamide is C=C(C)CCC(N)=O.
What is the InChIKey of 4-methylpent-4-enamide?
The InChIKey is YQFFOEXPURTKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H2,7,8).
What are the key properties of 4-methylpent-4-enamide?
4-methylpent-4-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-4-enamide is sourced from PubChem (CID 20520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).