N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide

C2H8N2O5 — CID 163606721

IUPACN-[methoxyperoxy(oxido)azaniumyl]methanamine oxide
SMILESCOOO[NH+]([O-])[NH+](C)[O-]
InChIInChI=1S/C2H8N2O5/c1-3(5)4(6)8-9-7-2/h3-4H,1-2H3
InChIKeyHCKZTUOIFFADHO-UHFFFAOYSA-N
MW140.09 g/mol
LogP-3.28
Rot. Bonds4

About N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide

N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide (PubChem CID 163606721) has the molecular formula C2H8N2O5 and a molecular weight of 140.09 g/mol. Its IUPAC name is N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide.

Molecular Properties

Compound NameN-[methoxyperoxy(oxido)azaniumyl]methanamine oxide
PubChem CID163606721
Molecular FormulaC2H8N2O5
Molecular Weight140.09 g/mol
Exact Mass140.04
IUPAC NameN-[methoxyperoxy(oxido)azaniumyl]methanamine oxide
SMILESCOOO[NH+]([O-])[NH+](C)[O-]
InChIInChI=1S/C2H8N2O5/c1-3(5)4(6)8-9-7-2/h3-4H,1-2H3
InChIKeyHCKZTUOIFFADHO-UHFFFAOYSA-N
XLogP-3.28
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 5-3.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide?
The IUPAC name of N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide (CID 163606721) is N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide.
What is the SMILES notation for N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide?
The canonical SMILES for N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide is COOO[NH+]([O-])[NH+](C)[O-].
What is the InChIKey of N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide?
The InChIKey is HCKZTUOIFFADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O5/c1-3(5)4(6)8-9-7-2/h3-4H,1-2H3.
What are the key properties of N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide?
N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide has a molecular weight of 140.09 g/mol, XLogP of -3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxyperoxy(oxido)azaniumyl]methanamine oxide is sourced from PubChem (CID 163606721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).