[methylperoxy(oxido)azaniumyl]oxymethane

C2H7NO4 — CID 163885997

IUPAC[methylperoxy(oxido)azaniumyl]oxymethane
SMILESCOO[NH+]([O-])OC
InChIInChI=1S/C2H7NO4/c1-5-3(4)7-6-2/h3H,1-2H3
InChIKeyPXINZNWUSKTPEX-UHFFFAOYSA-N
MW109.08 g/mol
LogP-1.58
Rot. Bonds3

About [methylperoxy(oxido)azaniumyl]oxymethane

[methylperoxy(oxido)azaniumyl]oxymethane (PubChem CID 163885997) has the molecular formula C2H7NO4 and a molecular weight of 109.08 g/mol. Its IUPAC name is [methylperoxy(oxido)azaniumyl]oxymethane.

Molecular Properties

Compound Name[methylperoxy(oxido)azaniumyl]oxymethane
PubChem CID163885997
Molecular FormulaC2H7NO4
Molecular Weight109.08 g/mol
Exact Mass109.04
IUPAC Name[methylperoxy(oxido)azaniumyl]oxymethane
SMILESCOO[NH+]([O-])OC
InChIInChI=1S/C2H7NO4/c1-5-3(4)7-6-2/h3H,1-2H3
InChIKeyPXINZNWUSKTPEX-UHFFFAOYSA-N
XLogP-1.58
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methylperoxy(oxido)azaniumyl]oxymethane?
The IUPAC name of [methylperoxy(oxido)azaniumyl]oxymethane (CID 163885997) is [methylperoxy(oxido)azaniumyl]oxymethane.
What is the SMILES notation for [methylperoxy(oxido)azaniumyl]oxymethane?
The canonical SMILES for [methylperoxy(oxido)azaniumyl]oxymethane is COO[NH+]([O-])OC.
What is the InChIKey of [methylperoxy(oxido)azaniumyl]oxymethane?
The InChIKey is PXINZNWUSKTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4/c1-5-3(4)7-6-2/h3H,1-2H3.
What are the key properties of [methylperoxy(oxido)azaniumyl]oxymethane?
[methylperoxy(oxido)azaniumyl]oxymethane has a molecular weight of 109.08 g/mol, XLogP of -1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methylperoxy(oxido)azaniumyl]oxymethane is sourced from PubChem (CID 163885997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).