nitromethoxyazanium

CH5N2O3+ — CID 20579199

IUPACnitromethoxyazanium
SMILES[NH3+]OC[N+](=O)[O-]
InChIInChI=1S/CH5N2O3/c2-6-1-3(4)5/h1H2,2H3/q+1
InChIKeyXKJHYFUAABCWNF-UHFFFAOYSA-N
MW93.06 g/mol
LogP-1.61
Rot. Bonds2

About nitromethoxyazanium

nitromethoxyazanium (PubChem CID 20579199) has the molecular formula CH5N2O3+ and a molecular weight of 93.06 g/mol. Its IUPAC name is nitromethoxyazanium.

Molecular Properties

Compound Namenitromethoxyazanium
PubChem CID20579199
Molecular FormulaCH5N2O3+
Molecular Weight93.06 g/mol
Exact Mass93.03
IUPAC Namenitromethoxyazanium
SMILES[NH3+]OC[N+](=O)[O-]
InChIInChI=1S/CH5N2O3/c2-6-1-3(4)5/h1H2,2H3/q+1
InChIKeyXKJHYFUAABCWNF-UHFFFAOYSA-N
XLogP-1.61
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.06
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze nitromethoxyazanium 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

nitromethyl hypofluorite
CID 154094120
tetrakis(nitromethoxy)methane
CID 58434412
1-(nitromethoxy)propane
CID 126717739
1-(nitromethoxy)butane
CID 123841450
methoxy-(nitromethoxy)-oxophosphanium
CID 22982162
CID 20695325
CID 20695325
1-nitro(113C)ethane
CID 71309579
1,3-dinitro-5-(nitromethoxy)benzene
CID 57227824
1-chloro-4-(nitromethoxy)benzene
CID 68968293
nitroxyl anion;ruthenium;trinitrate
CID 75366843
hafnium;tetrakis(nitric acid)
CID 5207132
methane;1-nitroethane;tetrahydrochloride
CID 173016040

Frequently Asked Questions

What is the IUPAC name of nitromethoxyazanium?
The IUPAC name of nitromethoxyazanium (CID 20579199) is nitromethoxyazanium.
What is the SMILES notation for nitromethoxyazanium?
The canonical SMILES for nitromethoxyazanium is [NH3+]OC[N+](=O)[O-].
What is the InChIKey of nitromethoxyazanium?
The InChIKey is XKJHYFUAABCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N2O3/c2-6-1-3(4)5/h1H2,2H3/q+1.
What are the key properties of nitromethoxyazanium?
nitromethoxyazanium has a molecular weight of 93.06 g/mol, XLogP of -1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitromethoxyazanium is sourced from PubChem (CID 20579199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).