but-3-enamide;hydrochloride

C4H8ClNO — CID 87244205

IUPACbut-3-enamide;hydrochloride
SMILESC=CCC(N)=O.Cl
InChIInChI=1S/C4H7NO.ClH/c1-2-3-4(5)6;/h2H,1,3H2,(H2,5,6);1H
InChIKeyRYFMXFXUHSXETR-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.47
Rot. Bonds2

About but-3-enamide;hydrochloride

but-3-enamide;hydrochloride (PubChem CID 87244205) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is but-3-enamide;hydrochloride.

Molecular Properties

Compound Namebut-3-enamide;hydrochloride
PubChem CID87244205
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Namebut-3-enamide;hydrochloride
SMILESC=CCC(N)=O.Cl
InChIInChI=1S/C4H7NO.ClH/c1-2-3-4(5)6;/h2H,1,3H2,(H2,5,6);1H
InChIKeyRYFMXFXUHSXETR-UHFFFAOYSA-N
XLogP0.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.47
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 but-3-enamide;hydrochloride?
The IUPAC name of but-3-enamide;hydrochloride (CID 87244205) is but-3-enamide;hydrochloride.
What is the SMILES notation for but-3-enamide;hydrochloride?
The canonical SMILES for but-3-enamide;hydrochloride is C=CCC(N)=O.Cl.
What is the InChIKey of but-3-enamide;hydrochloride?
The InChIKey is RYFMXFXUHSXETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.ClH/c1-2-3-4(5)6;/h2H,1,3H2,(H2,5,6);1H.
What are the key properties of but-3-enamide;hydrochloride?
but-3-enamide;hydrochloride has a molecular weight of 121.57 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enamide;hydrochloride is sourced from PubChem (CID 87244205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).