2-diazo-N-methylacetamide

C3H5N3O — CID 54133620

IUPAC2-diazo-N-methylacetamide
SMILESCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C3H5N3O/c1-5-3(7)2-6-4/h2H,1H3,(H,5,7)
InChIKeyNWCIEJWRWGEABU-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.97
Rot. Bonds1

About 2-diazo-N-methylacetamide

2-diazo-N-methylacetamide (PubChem CID 54133620) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-diazo-N-methylacetamide.

Molecular Properties

Compound Name2-diazo-N-methylacetamide
PubChem CID54133620
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name2-diazo-N-methylacetamide
SMILESCNC(=O)C=[N+]=[N-]
InChIInChI=1S/C3H5N3O/c1-5-3(7)2-6-4/h2H,1H3,(H,5,7)
InChIKeyNWCIEJWRWGEABU-UHFFFAOYSA-N
XLogP-0.97
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-diazo-N-methylacetamide?
The IUPAC name of 2-diazo-N-methylacetamide (CID 54133620) is 2-diazo-N-methylacetamide.
What is the SMILES notation for 2-diazo-N-methylacetamide?
The canonical SMILES for 2-diazo-N-methylacetamide is CNC(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-N-methylacetamide?
The InChIKey is NWCIEJWRWGEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-5-3(7)2-6-4/h2H,1H3,(H,5,7).
What are the key properties of 2-diazo-N-methylacetamide?
2-diazo-N-methylacetamide has a molecular weight of 99.09 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N-methylacetamide is sourced from PubChem (CID 54133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).