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

C10H17NO2 — CID 91262324

IUPAC2,3-dimethyl-N-(2-oxobutyl)but-2-enamide
SMILESCCC(=O)CNC(=O)C(C)=C(C)C
InChIInChI=1S/C10H17NO2/c1-5-9(12)6-11-10(13)8(4)7(2)3/h5-6H2,1-4H3,(H,11,13)
InChIKeyYMWGPHCRVVEIJZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds4

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

2,3-dimethyl-N-(2-oxobutyl)but-2-enamide (PubChem CID 91262324) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-oxobutyl)but-2-enamide
PubChem CID91262324
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3-dimethyl-N-(2-oxobutyl)but-2-enamide
SMILESCCC(=O)CNC(=O)C(C)=C(C)C
InChIInChI=1S/C10H17NO2/c1-5-9(12)6-11-10(13)8(4)7(2)3/h5-6H2,1-4H3,(H,11,13)
InChIKeyYMWGPHCRVVEIJZ-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxobutylcarbamic acid
CID 87278919
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
2-(2,3-dimethylbut-2-enoylamino)ethylazanium chloride
CID 139668609
2-(methylamino)-N-[2-oxo-2-(2-oxobutylamino)ethyl]acetamide
CID 175620098
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
1-(iodoamino)butan-2-one
CID 147536342
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
hexane-2,4-dione;platinum
CID 161447923
N-bromo-2,3-dimethylbut-2-enamide
CID 175154463
2-(ethylamino)-3-methyl-N-(2-oxobutyl)butanamide
CID 155432667
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide?
The IUPAC name of 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide (CID 91262324) is 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide?
The canonical SMILES for 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide is CCC(=O)CNC(=O)C(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide?
The InChIKey is YMWGPHCRVVEIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(12)6-11-10(13)8(4)7(2)3/h5-6H2,1-4H3,(H,11,13).
What are the key properties of 2,3-dimethyl-N-(2-oxobutyl)but-2-enamide?
2,3-dimethyl-N-(2-oxobutyl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.44, 4 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-oxobutyl)but-2-enamide is sourced from PubChem (CID 91262324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).