N-[methylperoxy(oxido)azaniumyl]methanamine oxide

C2H8N2O4 — CID 163527259

IUPACN-[methylperoxy(oxido)azaniumyl]methanamine oxide
SMILESCOO[NH+]([O-])[NH+](C)[O-]
InChIInChI=1S/C2H8N2O4/c1-3(5)4(6)8-7-2/h3-4H,1-2H3
InChIKeyDPVLCOYCDGVRAI-UHFFFAOYSA-N
MW124.10 g/mol
LogP-3.21
Rot. Bonds3

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

N-[methylperoxy(oxido)azaniumyl]methanamine oxide (PubChem CID 163527259) has the molecular formula C2H8N2O4 and a molecular weight of 124.10 g/mol. Its IUPAC name is N-[methylperoxy(oxido)azaniumyl]methanamine oxide.

Molecular Properties

Compound NameN-[methylperoxy(oxido)azaniumyl]methanamine oxide
PubChem CID163527259
Molecular FormulaC2H8N2O4
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC NameN-[methylperoxy(oxido)azaniumyl]methanamine oxide
SMILESCOO[NH+]([O-])[NH+](C)[O-]
InChIInChI=1S/C2H8N2O4/c1-3(5)4(6)8-7-2/h3-4H,1-2H3
InChIKeyDPVLCOYCDGVRAI-UHFFFAOYSA-N
XLogP-3.21
TPSA73.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-3.21
H-Bond Donors ≤ 52
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 N-[methylperoxy(oxido)azaniumyl]methanamine oxide?
The IUPAC name of N-[methylperoxy(oxido)azaniumyl]methanamine oxide (CID 163527259) is N-[methylperoxy(oxido)azaniumyl]methanamine oxide.
What is the SMILES notation for N-[methylperoxy(oxido)azaniumyl]methanamine oxide?
The canonical SMILES for N-[methylperoxy(oxido)azaniumyl]methanamine oxide is COO[NH+]([O-])[NH+](C)[O-].
What is the InChIKey of N-[methylperoxy(oxido)azaniumyl]methanamine oxide?
The InChIKey is DPVLCOYCDGVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O4/c1-3(5)4(6)8-7-2/h3-4H,1-2H3.
What are the key properties of N-[methylperoxy(oxido)azaniumyl]methanamine oxide?
N-[methylperoxy(oxido)azaniumyl]methanamine oxide has a molecular weight of 124.10 g/mol, XLogP of -3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylperoxy(oxido)azaniumyl]methanamine oxide is sourced from PubChem (CID 163527259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).