2,3-dimethyl-N-(2-oxoethyl)but-2-enamide

C8H13NO2 — CID 89393525

IUPAC2,3-dimethyl-N-(2-oxoethyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCC=O
InChIInChI=1S/C8H13NO2/c1-6(2)7(3)8(11)9-4-5-10/h5H,4H2,1-3H3,(H,9,11)
InChIKeyNCSXEGWFFGBIAD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds3

About 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide

2,3-dimethyl-N-(2-oxoethyl)but-2-enamide (PubChem CID 89393525) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-oxoethyl)but-2-enamide
PubChem CID89393525
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,3-dimethyl-N-(2-oxoethyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCC=O
InChIInChI=1S/C8H13NO2/c1-6(2)7(3)8(11)9-4-5-10/h5H,4H2,1-3H3,(H,9,11)
InChIKeyNCSXEGWFFGBIAD-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methacrylamidoacetaldehyde
CID 22616736
N-ethyl-2,3-dimethylbut-2-enamide
CID 19876041
4-Methyl-5-oxo-1,2-dihydropyrrole-3-carbaldehyde
CID 20648981
2-methyl-N-(1-oxobutan-2-yl)prop-2-enamide
CID 22719332
(Z)-N,2,3-trimethyl-4-oxobut-2-enamide
CID 58193363
2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
CID 91498866
2-methyl-N-(1-oxopropan-2-yl)prop-2-enamide
CID 140137747
(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide
CID 153346683
(E)-2,3-dimethyl-4-oxo-N-propan-2-ylbut-2-enamide;2-methoxypropane
CID 163385158
3-methyl-N-(2-oxoethyl)but-2-enamide
CID 55299529
3-methyl-N-(3-oxopropyl)but-2-enamide
CID 86023877
(E)-2,3-dimethyl-4-oxo-N-propan-2-ylbut-2-enamide
CID 163385159

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide?
The IUPAC name of 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide (CID 89393525) is 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide?
The canonical SMILES for 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide is CC(C)=C(C)C(=O)NCC=O.
What is the InChIKey of 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide?
The InChIKey is NCSXEGWFFGBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)7(3)8(11)9-4-5-10/h5H,4H2,1-3H3,(H,9,11).
What are the key properties of 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide?
2,3-dimethyl-N-(2-oxoethyl)but-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-oxoethyl)but-2-enamide is sourced from PubChem (CID 89393525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).