oxidoiminoiron(1+)

FeNO — CID 134872931

IUPACoxidoiminoiron(1+)
SMILES[O-]N=[Fe+]
InChIInChI=1S/Fe.NO/c;1-2/q+1;-1
InChIKeyVZQAQPGIOPQBGU-UHFFFAOYSA-N
MW85.85 g/mol
LogP0.21
Rot. Bonds

About oxidoiminoiron(1+)

oxidoiminoiron(1+) (PubChem CID 134872931) has the molecular formula FeNO and a molecular weight of 85.85 g/mol. Its IUPAC name is oxidoiminoiron(1+).

Molecular Properties

Compound Nameoxidoiminoiron(1+)
PubChem CID134872931
Molecular FormulaFeNO
Molecular Weight85.85 g/mol
Exact Mass85.93
IUPAC Nameoxidoiminoiron(1+)
SMILES[O-]N=[Fe+]
InChIInChI=1S/Fe.NO/c;1-2/q+1;-1
InChIKeyVZQAQPGIOPQBGU-UHFFFAOYSA-N
XLogP0.21
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.85
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxidoiminoiron(1+)?
The IUPAC name of oxidoiminoiron(1+) (CID 134872931) is oxidoiminoiron(1+).
What is the SMILES notation for oxidoiminoiron(1+)?
The canonical SMILES for oxidoiminoiron(1+) is [O-]N=[Fe+].
What is the InChIKey of oxidoiminoiron(1+)?
The InChIKey is VZQAQPGIOPQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.NO/c;1-2/q+1;-1.
What are the key properties of oxidoiminoiron(1+)?
oxidoiminoiron(1+) has a molecular weight of 85.85 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxidoiminoiron(1+) is sourced from PubChem (CID 134872931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).