3-methylbut-3-enamide;molecular hydrogen

C5H11NO — CID 153357956

IUPAC3-methylbut-3-enamide;molecular hydrogen
SMILESC=C(C)CC(N)=O.[H][H]
InChIInChI=1S/C5H9NO.H2/c1-4(2)3-5(6)7;/h1,3H2,2H3,(H2,6,7);1H
InChIKeyNDWZIKATXIHOSK-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.68
Rot. Bonds2

About 3-methylbut-3-enamide;molecular hydrogen

3-methylbut-3-enamide;molecular hydrogen (PubChem CID 153357956) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methylbut-3-enamide;molecular hydrogen.

Molecular Properties

Compound Name3-methylbut-3-enamide;molecular hydrogen
PubChem CID153357956
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methylbut-3-enamide;molecular hydrogen
SMILESC=C(C)CC(N)=O.[H][H]
InChIInChI=1S/C5H9NO.H2/c1-4(2)3-5(6)7;/h1,3H2,2H3,(H2,6,7);1H
InChIKeyNDWZIKATXIHOSK-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.68
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 3-methylbut-3-enamide;molecular hydrogen?
The IUPAC name of 3-methylbut-3-enamide;molecular hydrogen (CID 153357956) is 3-methylbut-3-enamide;molecular hydrogen.
What is the SMILES notation for 3-methylbut-3-enamide;molecular hydrogen?
The canonical SMILES for 3-methylbut-3-enamide;molecular hydrogen is C=C(C)CC(N)=O.[H][H].
What is the InChIKey of 3-methylbut-3-enamide;molecular hydrogen?
The InChIKey is NDWZIKATXIHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H2/c1-4(2)3-5(6)7;/h1,3H2,2H3,(H2,6,7);1H.
What are the key properties of 3-methylbut-3-enamide;molecular hydrogen?
3-methylbut-3-enamide;molecular hydrogen has a molecular weight of 101.15 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enamide;molecular hydrogen is sourced from PubChem (CID 153357956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).