2,3-dimethylbut-2-enamide

C6H11NO — CID 15178391

IUPAC2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h1-3H3,(H2,7,8)
InChIKeyCWWYEELVMRNKHZ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds1

About 2,3-dimethylbut-2-enamide

2,3-dimethylbut-2-enamide (PubChem CID 15178391) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,3-dimethylbut-2-enamide.

Molecular Properties

Compound Name2,3-dimethylbut-2-enamide
PubChem CID15178391
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(N)=O
InChIInChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h1-3H3,(H2,7,8)
InChIKeyCWWYEELVMRNKHZ-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-enamide?
The IUPAC name of 2,3-dimethylbut-2-enamide (CID 15178391) is 2,3-dimethylbut-2-enamide.
What is the SMILES notation for 2,3-dimethylbut-2-enamide?
The canonical SMILES for 2,3-dimethylbut-2-enamide is CC(C)=C(C)C(N)=O.
What is the InChIKey of 2,3-dimethylbut-2-enamide?
The InChIKey is CWWYEELVMRNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h1-3H3,(H2,7,8).
What are the key properties of 2,3-dimethylbut-2-enamide?
2,3-dimethylbut-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-enamide is sourced from PubChem (CID 15178391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).