dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium

C2K2N4O8 — CID 12619311

IUPACdipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium
SMILESO=[N+]([O-])C(C([N+](=O)[O-])=[N+]([O-])[O-])=[N+]([O-])[O-].[K+].[K+]
InChIInChI=1S/C2N4O8.2K/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;/q-2;2*+1
InChIKeyHCUNPNWDBPLYKV-UHFFFAOYSA-N
MW286.24 g/mol
LogP-7.64
Rot. Bonds

About dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium

dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium (PubChem CID 12619311) has the molecular formula C2K2N4O8 and a molecular weight of 286.24 g/mol. Its IUPAC name is dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium.

Molecular Properties

Compound Namedipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium
PubChem CID12619311
Molecular FormulaC2K2N4O8
Molecular Weight286.24 g/mol
Exact Mass285.90
IUPAC Namedipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium
SMILESO=[N+]([O-])C(C([N+](=O)[O-])=[N+]([O-])[O-])=[N+]([O-])[O-].[K+].[K+]
InChIInChI=1S/C2N4O8.2K/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;/q-2;2*+1
InChIKeyHCUNPNWDBPLYKV-UHFFFAOYSA-N
XLogP-7.64
TPSA184.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-7.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tripentacontapotassium;pentakis(nitric acid)
CID 173441316
dipotassium;hydride;nitric acid
CID 173026465
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333
potassium;hydride;tetrakis(nitric acid)
CID 173316593
potassium;strontium;bis(nitric acid)
CID 173432991
dipotassium;thorium(4+);hexanitrate
CID 139125755
potassium;yttrium;nitrate
CID 174893642
potassium;lanthanum(3+);tetranitrate
CID 158686941
oxalate nitrate
CID 22623470
potassium;bis(nitric acid);sulfane;nitrate
CID 174249776
potassium;hydride;nitric acid;silver
CID 173442330
potassium;sulfuric acid;nitrate
CID 23434685

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium?
The IUPAC name of dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium (CID 12619311) is dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium.
What is the SMILES notation for dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium?
The canonical SMILES for dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium is O=[N+]([O-])C(C([N+](=O)[O-])=[N+]([O-])[O-])=[N+]([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium?
The InChIKey is HCUNPNWDBPLYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O8.2K/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;/q-2;2*+1.
What are the key properties of dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium?
dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium has a molecular weight of 286.24 g/mol, XLogP of -7.64, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium is sourced from PubChem (CID 12619311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).