cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite

C10H20CoN2O8+2 — CID 50911407

IUPACcobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
SMILESO=N[O-].O=N[O-].[Co].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.Co.2HNO2/c2*1-4(6)3-5(2)7;;2*2-1-3/h2*3H2,1-2H3;;2*(H,2,3)/p+2
InChIKeyIXQNGIWUYCWHPG-UHFFFAOYSA-P
MW355.21 g/mol
LogP1.51
Rot. Bonds4

About cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite

cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite (PubChem CID 50911407) has the molecular formula C10H20CoN2O8+2 and a molecular weight of 355.21 g/mol. Its IUPAC name is cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite.

Molecular Properties

Compound Namecobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
PubChem CID50911407
Molecular FormulaC10H20CoN2O8+2
Molecular Weight355.21 g/mol
Exact Mass355.05
IUPAC Namecobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
SMILESO=N[O-].O=N[O-].[Co].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.Co.2HNO2/c2*1-4(6)3-5(2)7;;2*2-1-3/h2*3H2,1-2H3;;2*(H,2,3)/p+2
InChIKeyIXQNGIWUYCWHPG-UHFFFAOYSA-P
XLogP1.51
TPSA190.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
CID 50909416
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
sodium;propane-1,2-diol;nitrite
CID 158616438
iron;[3-oxo-1-[4-(3-oxoniumylidenebutanoyl)phenyl]butylidene]oxidanium
CID 50911481
cobalt;hydrazine;nitrite
CID 18779347
sodium;propan-1-ol;nitrite
CID 174896587
CID 20981982
CID 20981982
neodymium(3+) trinitrite
CID 158721016
Sodium nitrite N-15
CID 23662135

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite?
The IUPAC name of cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite (CID 50911407) is cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite.
What is the SMILES notation for cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite?
The canonical SMILES for cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite is O=N[O-].O=N[O-].[Co].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].
What is the InChIKey of cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite?
The InChIKey is IXQNGIWUYCWHPG-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H8O2.Co.2HNO2/c2*1-4(6)3-5(2)7;;2*2-1-3/h2*3H2,1-2H3;;2*(H,2,3)/p+2.
What are the key properties of cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite?
cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite has a molecular weight of 355.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite is sourced from PubChem (CID 50911407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).