cobalt;hydrogen peroxide;isocyanate

CH2CoNO3- — CID 175093503

IUPACcobalt;hydrogen peroxide;isocyanate
SMILESOO.[Co].[N-]=C=O
InChIInChI=1S/CNO.Co.H2O2/c2-1-3;;1-2/h;;1-2H/q-1;;
InChIKeyVUJICNWKQLQUBS-UHFFFAOYSA-N
MW134.96 g/mol
LogP-0.09
Rot. Bonds

About cobalt;hydrogen peroxide;isocyanate

cobalt;hydrogen peroxide;isocyanate (PubChem CID 175093503) has the molecular formula CH2CoNO3- and a molecular weight of 134.96 g/mol. Its IUPAC name is cobalt;hydrogen peroxide;isocyanate.

Molecular Properties

Compound Namecobalt;hydrogen peroxide;isocyanate
PubChem CID175093503
Molecular FormulaCH2CoNO3-
Molecular Weight134.96 g/mol
Exact Mass134.94
IUPAC Namecobalt;hydrogen peroxide;isocyanate
SMILESOO.[Co].[N-]=C=O
InChIInChI=1S/CNO.Co.H2O2/c2-1-3;;1-2/h;;1-2H/q-1;;
InChIKeyVUJICNWKQLQUBS-UHFFFAOYSA-N
XLogP-0.09
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.96
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 18764448
CID 18764448
CID 159379523
CID 159379523
dicesium diisocyanate
CID 158783329
sulfane isocyanate
CID 23503952
zirconium(4+) tetraisocyanate
CID 161118534
ruthenium(1+) isocyanate
CID 150299846
azane isocyanate
CID 22114493
cerium(3+) triisocyanate
CID 141389401
benzene;diisocyanate;hydrobromide
CID 22675997
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
methane;phosphane;diisocyanate
CID 21425418
chromium(3+);iron(2+);pentaisocyanate
CID 175385630

Frequently Asked Questions

What is the IUPAC name of cobalt;hydrogen peroxide;isocyanate?
The IUPAC name of cobalt;hydrogen peroxide;isocyanate (CID 175093503) is cobalt;hydrogen peroxide;isocyanate.
What is the SMILES notation for cobalt;hydrogen peroxide;isocyanate?
The canonical SMILES for cobalt;hydrogen peroxide;isocyanate is OO.[Co].[N-]=C=O.
What is the InChIKey of cobalt;hydrogen peroxide;isocyanate?
The InChIKey is VUJICNWKQLQUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.Co.H2O2/c2-1-3;;1-2/h;;1-2H/q-1;;.
What are the key properties of cobalt;hydrogen peroxide;isocyanate?
cobalt;hydrogen peroxide;isocyanate has a molecular weight of 134.96 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hydrogen peroxide;isocyanate is sourced from PubChem (CID 175093503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).