[diazonio(methyl)amino]-methoxy-oxomethane

C3H6N3O2+ — CID 123202993

IUPAC[diazonio(methyl)amino]-methoxy-oxomethane
SMILESCOC(=O)N(C)[N+]#N
InChIInChI=1S/C3H6N3O2/c1-6(5-4)3(7)8-2/h1-2H3/q+1
InChIKeyQAKMASTZAJJPCP-UHFFFAOYSA-N
MW116.10 g/mol
LogP0.45
Rot. Bonds

About [diazonio(methyl)amino]-methoxy-oxomethane

[diazonio(methyl)amino]-methoxy-oxomethane (PubChem CID 123202993) has the molecular formula C3H6N3O2+ and a molecular weight of 116.10 g/mol. Its IUPAC name is [diazonio(methyl)amino]-methoxy-oxomethane.

Molecular Properties

Compound Name[diazonio(methyl)amino]-methoxy-oxomethane
PubChem CID123202993
Molecular FormulaC3H6N3O2+
Molecular Weight116.10 g/mol
Exact Mass116.05
IUPAC Name[diazonio(methyl)amino]-methoxy-oxomethane
SMILESCOC(=O)N(C)[N+]#N
InChIInChI=1S/C3H6N3O2/c1-6(5-4)3(7)8-2/h1-2H3/q+1
InChIKeyQAKMASTZAJJPCP-UHFFFAOYSA-N
XLogP0.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazonio(methyl)amino]-methoxy-oxomethane?
The IUPAC name of [diazonio(methyl)amino]-methoxy-oxomethane (CID 123202993) is [diazonio(methyl)amino]-methoxy-oxomethane.
What is the SMILES notation for [diazonio(methyl)amino]-methoxy-oxomethane?
The canonical SMILES for [diazonio(methyl)amino]-methoxy-oxomethane is COC(=O)N(C)[N+]#N.
What is the InChIKey of [diazonio(methyl)amino]-methoxy-oxomethane?
The InChIKey is QAKMASTZAJJPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3O2/c1-6(5-4)3(7)8-2/h1-2H3/q+1.
What are the key properties of [diazonio(methyl)amino]-methoxy-oxomethane?
[diazonio(methyl)amino]-methoxy-oxomethane has a molecular weight of 116.10 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diazonio(methyl)amino]-methoxy-oxomethane is sourced from PubChem (CID 123202993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).