N-[methoxy(oxido)azaniumyl]oxymethanamine oxide

C2H8N2O4 — CID 163801000

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

About N-[methoxy(oxido)azaniumyl]oxymethanamine oxide

N-[methoxy(oxido)azaniumyl]oxymethanamine oxide (PubChem CID 163801000) has the molecular formula C2H8N2O4 and a molecular weight of 124.10 g/mol. Its IUPAC name is N-[methoxy(oxido)azaniumyl]oxymethanamine oxide.

Molecular Properties

Compound NameN-[methoxy(oxido)azaniumyl]oxymethanamine oxide
PubChem CID163801000
Molecular FormulaC2H8N2O4
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC NameN-[methoxy(oxido)azaniumyl]oxymethanamine oxide
SMILESCO[NH+]([O-])O[NH+](C)[O-]
InChIInChI=1S/C2H8N2O4/c1-3(5)8-4(6)7-2/h3-4H,1-2H3
InChIKeyNEYCZWROCPGTQV-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'}

Analyze N-[methoxy(oxido)azaniumyl]oxymethanamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[hydroxy(oxido)azaniumyl]oxymethanamine oxide
CID 163752722
[[methoxy(oxido)azaniumyl]-methylazaniumyl]azanide
CID 163709816
N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide
CID 163419718
(3S)-N-[methyl(oxido)azaniumyl]oxyhexan-3-amine oxide
CID 163952866
N-(trimethylazaniumyl)oxymethanamine oxide
CID 163415913
1-methoxy-N-methyl-1-oxomethanamine oxide
CID 163557527
N,N'-dimethoxyhexane-1,6-diamine oxide
CID 163773390
[methoxy(oxido)azaniumyl]sulfanylethene
CID 163870949
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
CID 163823086
2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane
CID 163832329
barium(2+);oxidooxymethane
CID 101085331
diethyl(methoxy)azanium
CID 154072490

Frequently Asked Questions

What is the IUPAC name of N-[methoxy(oxido)azaniumyl]oxymethanamine oxide?
The IUPAC name of N-[methoxy(oxido)azaniumyl]oxymethanamine oxide (CID 163801000) is N-[methoxy(oxido)azaniumyl]oxymethanamine oxide.
What is the SMILES notation for N-[methoxy(oxido)azaniumyl]oxymethanamine oxide?
The canonical SMILES for N-[methoxy(oxido)azaniumyl]oxymethanamine oxide is CO[NH+]([O-])O[NH+](C)[O-].
What is the InChIKey of N-[methoxy(oxido)azaniumyl]oxymethanamine oxide?
The InChIKey is NEYCZWROCPGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O4/c1-3(5)8-4(6)7-2/h3-4H,1-2H3.
What are the key properties of N-[methoxy(oxido)azaniumyl]oxymethanamine oxide?
N-[methoxy(oxido)azaniumyl]oxymethanamine 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-[methoxy(oxido)azaniumyl]oxymethanamine oxide is sourced from PubChem (CID 163801000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).