carbon monoxide;iron(2+);nitroxyl anion

C2FeN2O4 — CID 518807

IUPACcarbon monoxide;iron(2+);nitroxyl anion
SMILES[C-]#[O+].[C-]#[O+].[Fe+2].[N-]=O.[N-]=O
InChIInChI=1S/2CO.Fe.2NO/c2*1-2;;2*1-2/q;;+2;2*-1
InChIKeyAQJKXWPSVXRALZ-UHFFFAOYSA-N
MW171.88 g/mol
LogP0.57
Rot. Bonds

About carbon monoxide;iron(2+);nitroxyl anion

carbon monoxide;iron(2+);nitroxyl anion (PubChem CID 518807) has the molecular formula C2FeN2O4 and a molecular weight of 171.88 g/mol. Its IUPAC name is carbon monoxide;iron(2+);nitroxyl anion.

Molecular Properties

Compound Namecarbon monoxide;iron(2+);nitroxyl anion
PubChem CID518807
Molecular FormulaC2FeN2O4
Molecular Weight171.88 g/mol
Exact Mass171.92
IUPAC Namecarbon monoxide;iron(2+);nitroxyl anion
SMILES[C-]#[O+].[C-]#[O+].[Fe+2].[N-]=O.[N-]=O
InChIInChI=1S/2CO.Fe.2NO/c2*1-2;;2*1-2/q;;+2;2*-1
InChIKeyAQJKXWPSVXRALZ-UHFFFAOYSA-N
XLogP0.57
TPSA118.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.88
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;iron;iron(2+);methanone
CID 22836418
sodium;iron(2+);nitroxyl anion;dichloride
CID 161122717
iron(4+);nitroxyl anion;pentacyanide
CID 140862411
carbon monoxide;osmium
CID 45052130
carbon monoxide;iron(4+)
CID 11963757
carbon monoxide;manganese
CID 11400812
carbon monoxide;ruthenium(2+)
CID 172717822
molybdenum(3+);nitroxyl anion
CID 154103061
carbon monoxide;tetrakis(rhodium)
CID 164887220
carbon monoxide;bis(cobalt(2+))
CID 2724943
trisodium;iron(3+);nitroxyl anion;pentacyanide
CID 173146033
tripotassium;chromium(3+);nitroxyl anion;pentacyanide
CID 21144783

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron(2+);nitroxyl anion?
The IUPAC name of carbon monoxide;iron(2+);nitroxyl anion (CID 518807) is carbon monoxide;iron(2+);nitroxyl anion.
What is the SMILES notation for carbon monoxide;iron(2+);nitroxyl anion?
The canonical SMILES for carbon monoxide;iron(2+);nitroxyl anion is [C-]#[O+].[C-]#[O+].[Fe+2].[N-]=O.[N-]=O.
What is the InChIKey of carbon monoxide;iron(2+);nitroxyl anion?
The InChIKey is AQJKXWPSVXRALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CO.Fe.2NO/c2*1-2;;2*1-2/q;;+2;2*-1.
What are the key properties of carbon monoxide;iron(2+);nitroxyl anion?
carbon monoxide;iron(2+);nitroxyl anion has a molecular weight of 171.88 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron(2+);nitroxyl anion is sourced from PubChem (CID 518807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).