ethyl 2-diazenylacetate

C4H8N2O2 — CID 15212472

IUPACethyl 2-diazenylacetate
SMILES[H]/N=N/CC(=O)OCC
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h5H,2-3H2,1H3/b6-5+
InChIKeyZYIMXYQWDIBUQK-AATRIKPKSA-N
MW116.12 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-diazenylacetate

ethyl 2-diazenylacetate (PubChem CID 15212472) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethyl 2-diazenylacetate.

Molecular Properties

Compound Nameethyl 2-diazenylacetate
PubChem CID15212472
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameethyl 2-diazenylacetate
SMILES[H]/N=N/CC(=O)OCC
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h5H,2-3H2,1H3/b6-5+
InChIKeyZYIMXYQWDIBUQK-AATRIKPKSA-N
XLogP0.58
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazenylacetate?
The IUPAC name of ethyl 2-diazenylacetate (CID 15212472) is ethyl 2-diazenylacetate.
What is the SMILES notation for ethyl 2-diazenylacetate?
The canonical SMILES for ethyl 2-diazenylacetate is [H]/N=N/CC(=O)OCC.
What is the InChIKey of ethyl 2-diazenylacetate?
The InChIKey is ZYIMXYQWDIBUQK-AATRIKPKSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-8-4(7)3-6-5/h5H,2-3H2,1H3/b6-5+.
What are the key properties of ethyl 2-diazenylacetate?
ethyl 2-diazenylacetate has a molecular weight of 116.12 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazenylacetate is sourced from PubChem (CID 15212472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).