2-methylpent-4-enamide

C6H11NO — CID 55281325

IUPAC2-methylpent-4-enamide
SMILESC=CCC(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyABCYZVLBGBLQQK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds3

About 2-methylpent-4-enamide

2-methylpent-4-enamide (PubChem CID 55281325) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methylpent-4-enamide.

Molecular Properties

Compound Name2-methylpent-4-enamide
PubChem CID55281325
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methylpent-4-enamide
SMILESC=CCC(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyABCYZVLBGBLQQK-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-enamide?
The IUPAC name of 2-methylpent-4-enamide (CID 55281325) is 2-methylpent-4-enamide.
What is the SMILES notation for 2-methylpent-4-enamide?
The canonical SMILES for 2-methylpent-4-enamide is C=CCC(C)C(N)=O.
What is the InChIKey of 2-methylpent-4-enamide?
The InChIKey is ABCYZVLBGBLQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8).
What are the key properties of 2-methylpent-4-enamide?
2-methylpent-4-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-enamide is sourced from PubChem (CID 55281325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).