sodium (Z)-methyl-oxido-oxidoiminoazanium

CH3N2NaO2 — CID 172966410

IUPACsodium (Z)-methyl-oxido-oxidoiminoazanium
SMILESC/[N+]([O-])=N/[O-].[Na+]
InChIInChI=1S/CH4N2O2.Na/c1-3(5)2-4;/h4H,1H3;/q;+1/p-1/b3-2-;
InChIKeyKMDKVOQHUPTPQB-OLGQORCHSA-M
MW98.04 g/mol
LogP-2.92
Rot. Bonds

About sodium (Z)-methyl-oxido-oxidoiminoazanium

sodium (Z)-methyl-oxido-oxidoiminoazanium (PubChem CID 172966410) has the molecular formula CH3N2NaO2 and a molecular weight of 98.04 g/mol. Its IUPAC name is sodium (Z)-methyl-oxido-oxidoiminoazanium.

Molecular Properties

Compound Namesodium (Z)-methyl-oxido-oxidoiminoazanium
PubChem CID172966410
Molecular FormulaCH3N2NaO2
Molecular Weight98.04 g/mol
Exact Mass98.01
IUPAC Namesodium (Z)-methyl-oxido-oxidoiminoazanium
SMILESC/[N+]([O-])=N/[O-].[Na+]
InChIInChI=1S/CH4N2O2.Na/c1-3(5)2-4;/h4H,1H3;/q;+1/p-1/b3-2-;
InChIKeyKMDKVOQHUPTPQB-OLGQORCHSA-M
XLogP-2.92
TPSA61.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.04
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium
CID 135438450
(Z)-hydroxymethylimino-methyl-oxidoazanium
CID 6433205
nitromethane;hydroiodide
CID 159753263
sodium;nitric acid;nitrite
CID 22990458
tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium
CID 135525507
dimethylcarbamoylimino-methyl-oxidoazanium
CID 86234902
CID 174714129
CID 174714129
nitrate nitrite
CID 22182872
ethene;nitromethane
CID 161480182
sodium N-oxidopropan-2-imine
CID 23680170
methyl-oxido-oxidophosphanylideneazanium
CID 174536887
molecular nitrogen;nitromethane
CID 141240049

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-methyl-oxido-oxidoiminoazanium?
The IUPAC name of sodium (Z)-methyl-oxido-oxidoiminoazanium (CID 172966410) is sodium (Z)-methyl-oxido-oxidoiminoazanium.
What is the SMILES notation for sodium (Z)-methyl-oxido-oxidoiminoazanium?
The canonical SMILES for sodium (Z)-methyl-oxido-oxidoiminoazanium is C/[N+]([O-])=N/[O-].[Na+].
What is the InChIKey of sodium (Z)-methyl-oxido-oxidoiminoazanium?
The InChIKey is KMDKVOQHUPTPQB-OLGQORCHSA-M. The full InChI is InChI=1S/CH4N2O2.Na/c1-3(5)2-4;/h4H,1H3;/q;+1/p-1/b3-2-;.
What are the key properties of sodium (Z)-methyl-oxido-oxidoiminoazanium?
sodium (Z)-methyl-oxido-oxidoiminoazanium has a molecular weight of 98.04 g/mol, XLogP of -2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-methyl-oxido-oxidoiminoazanium is sourced from PubChem (CID 172966410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).