2-(methyldiazenyl)-3-oxobutanamide

C5H9N3O2 — CID 89213686

IUPAC2-(methyldiazenyl)-3-oxobutanamide
SMILESC/N=N/C(C(C)=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)4(5(6)10)8-7-2/h4H,1-2H3,(H2,6,10)/b8-7+
InChIKeyIFOQPFRTGBJZPX-BQYQJAHWSA-N
MW143.15 g/mol
LogP-0.49
Rot. Bonds3

About 2-(methyldiazenyl)-3-oxobutanamide

2-(methyldiazenyl)-3-oxobutanamide (PubChem CID 89213686) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-(methyldiazenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-(methyldiazenyl)-3-oxobutanamide
PubChem CID89213686
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-(methyldiazenyl)-3-oxobutanamide
SMILESC/N=N/C(C(C)=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)4(5(6)10)8-7-2/h4H,1-2H3,(H2,6,10)/b8-7+
InChIKeyIFOQPFRTGBJZPX-BQYQJAHWSA-N
XLogP-0.49
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3-oxobutanamide
CID 11446307
2-Diazenyl-3-oxobutanamide
CID 18000396
(3S)-3-amino-2-oxobutanamide
CID 23525136
2-Diazenylbutanamide
CID 54086751
2-Azidobutanamide
CID 57035378
4-Acetyl-1,4-dihydrotriazol-5-one
CID 130027708
4-Acetyl-1,4-dihydrotriazol-5-one;molecular hydrogen;hydroiodide
CID 142909465
4-Acetyl-1,4-dihydrotriazol-5-one;ethane
CID 142909787
4-Acetyl-1,4-dihydrotriazol-5-one;molecular hydrogen
CID 142910477
(2R)-2-azidobutanamide
CID 150339311
(2S)-2-azidobutanamide
CID 150339312
N-bromo-2-(methyldiazenyl)-3-oxobutanamide
CID 163603326

Frequently Asked Questions

What is the IUPAC name of 2-(methyldiazenyl)-3-oxobutanamide?
The IUPAC name of 2-(methyldiazenyl)-3-oxobutanamide (CID 89213686) is 2-(methyldiazenyl)-3-oxobutanamide.
What is the SMILES notation for 2-(methyldiazenyl)-3-oxobutanamide?
The canonical SMILES for 2-(methyldiazenyl)-3-oxobutanamide is C/N=N/C(C(C)=O)C(N)=O.
What is the InChIKey of 2-(methyldiazenyl)-3-oxobutanamide?
The InChIKey is IFOQPFRTGBJZPX-BQYQJAHWSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(9)4(5(6)10)8-7-2/h4H,1-2H3,(H2,6,10)/b8-7+.
What are the key properties of 2-(methyldiazenyl)-3-oxobutanamide?
2-(methyldiazenyl)-3-oxobutanamide has a molecular weight of 143.15 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyldiazenyl)-3-oxobutanamide is sourced from PubChem (CID 89213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).