2-methylbut-3-enamide

C5H9NO — CID 14143179

IUPAC2-methylbut-3-enamide
SMILESC=CC(C)C(N)=O
InChIInChI=1S/C5H9NO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H2,6,7)
InChIKeyJDBWESWWTKTKOL-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.29
Rot. Bonds2

About 2-methylbut-3-enamide

2-methylbut-3-enamide (PubChem CID 14143179) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methylbut-3-enamide.

Molecular Properties

Compound Name2-methylbut-3-enamide
PubChem CID14143179
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methylbut-3-enamide
SMILESC=CC(C)C(N)=O
InChIInChI=1S/C5H9NO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H2,6,7)
InChIKeyJDBWESWWTKTKOL-UHFFFAOYSA-N
XLogP0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.29
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 2-methylbut-3-enamide?
The IUPAC name of 2-methylbut-3-enamide (CID 14143179) is 2-methylbut-3-enamide.
What is the SMILES notation for 2-methylbut-3-enamide?
The canonical SMILES for 2-methylbut-3-enamide is C=CC(C)C(N)=O.
What is the InChIKey of 2-methylbut-3-enamide?
The InChIKey is JDBWESWWTKTKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H2,6,7).
What are the key properties of 2-methylbut-3-enamide?
2-methylbut-3-enamide has a molecular weight of 99.13 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-enamide is sourced from PubChem (CID 14143179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).