methyl 2-diazenylacetate

C3H6N2O2 — CID 15502652

IUPACmethyl 2-diazenylacetate
SMILES[H]/N=N/CC(=O)OC
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/b5-4+
InChIKeyDSDQLOREVBBJSP-SNAWJCMRSA-N
MW102.09 g/mol
LogP0.19
Rot. Bonds2

About methyl 2-diazenylacetate

methyl 2-diazenylacetate (PubChem CID 15502652) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is methyl 2-diazenylacetate.

Molecular Properties

Compound Namemethyl 2-diazenylacetate
PubChem CID15502652
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namemethyl 2-diazenylacetate
SMILES[H]/N=N/CC(=O)OC
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/b5-4+
InChIKeyDSDQLOREVBBJSP-SNAWJCMRSA-N
XLogP0.19
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.19
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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Related Compounds

Methyl 2-azidoacetate
CID 4020482
Methyl alpha-azidoglycinate
CID 150162747
(2-Ethoxy-2-oxoethyl)imino-iminoazanium
CID 6332328
Ethyl 2-diazenylacetate
CID 15212472
(2-Methoxy-2-oxoethyl)azaniumylideneazanide
CID 59937171
2-(Diazonioamino)-1-methoxy-1-oxoethane
CID 89160852
CID 89998361
CID 89998361
Methyl 2-azidoacetate azide
CID 89998362
Methyl 2-(aminodiazenyl)acetate
CID 90211553
(2-Methoxy-2-oxoethyl)iminoazanium
CID 142018409
Imino-(2-methoxy-2-oxoethyl)iminoazanium
CID 146893171
(2-Methoxy-2-oxoethyl)imino-methyliminoazanium
CID 147997738

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazenylacetate?
The IUPAC name of methyl 2-diazenylacetate (CID 15502652) is methyl 2-diazenylacetate.
What is the SMILES notation for methyl 2-diazenylacetate?
The canonical SMILES for methyl 2-diazenylacetate is [H]/N=N/CC(=O)OC.
What is the InChIKey of methyl 2-diazenylacetate?
The InChIKey is DSDQLOREVBBJSP-SNAWJCMRSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/b5-4+.
What are the key properties of methyl 2-diazenylacetate?
methyl 2-diazenylacetate has a molecular weight of 102.09 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazenylacetate is sourced from PubChem (CID 15502652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).