N-(4-diazo-3-oxobutan-2-yl)acetamide

C6H9N3O2 — CID 71409177

IUPACN-(4-diazo-3-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(=O)C=[N+]=[N-]
InChIInChI=1S/C6H9N3O2/c1-4(9-5(2)10)6(11)3-8-7/h3-4H,1-2H3,(H,9,10)
InChIKeyXKUMZYGCBYEQAF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.62
Rot. Bonds3

About N-(4-diazo-3-oxobutan-2-yl)acetamide

N-(4-diazo-3-oxobutan-2-yl)acetamide (PubChem CID 71409177) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(4-diazo-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-diazo-3-oxobutan-2-yl)acetamide
PubChem CID71409177
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(4-diazo-3-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(=O)C=[N+]=[N-]
InChIInChI=1S/C6H9N3O2/c1-4(9-5(2)10)6(11)3-8-7/h3-4H,1-2H3,(H,9,10)
InChIKeyXKUMZYGCBYEQAF-UHFFFAOYSA-N
XLogP-0.62
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-diazo-3-oxobutan-2-yl)acetamide?
The IUPAC name of N-(4-diazo-3-oxobutan-2-yl)acetamide (CID 71409177) is N-(4-diazo-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for N-(4-diazo-3-oxobutan-2-yl)acetamide?
The canonical SMILES for N-(4-diazo-3-oxobutan-2-yl)acetamide is CC(=O)NC(C)C(=O)C=[N+]=[N-].
What is the InChIKey of N-(4-diazo-3-oxobutan-2-yl)acetamide?
The InChIKey is XKUMZYGCBYEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(9-5(2)10)6(11)3-8-7/h3-4H,1-2H3,(H,9,10).
What are the key properties of N-(4-diazo-3-oxobutan-2-yl)acetamide?
N-(4-diazo-3-oxobutan-2-yl)acetamide has a molecular weight of 155.16 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-diazo-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 71409177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).