azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron

C10H6FeNO3+ — CID 134900349

IUPACazanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
SMILESC1=Cc2ccccc21.N#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C8H6.2CO.Fe.NO/c1-2-4-8-6-5-7(8)3-1;2*1-2;;1-2/h1-6H;;;;/q;;;;+1
InChIKeyBGOWNDWTERQOFH-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.99
Rot. Bonds

About azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron

azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron (PubChem CID 134900349) has the molecular formula C10H6FeNO3+ and a molecular weight of 244.01 g/mol. Its IUPAC name is azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron.

Molecular Properties

Compound Nameazanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
PubChem CID134900349
Molecular FormulaC10H6FeNO3+
Molecular Weight244.01 g/mol
Exact Mass243.97
IUPAC Nameazanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
SMILESC1=Cc2ccccc21.N#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C8H6.2CO.Fe.NO/c1-2-4-8-6-5-7(8)3-1;2*1-2;;1-2/h1-6H;;;;/q;;;;+1
InChIKeyBGOWNDWTERQOFH-UHFFFAOYSA-N
XLogP1.99
TPSA83.49 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron?
The IUPAC name of azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron (CID 134900349) is azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron.
What is the SMILES notation for azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron?
The canonical SMILES for azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron is C1=Cc2ccccc21.N#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron?
The InChIKey is BGOWNDWTERQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.2CO.Fe.NO/c1-2-4-8-6-5-7(8)3-1;2*1-2;;1-2/h1-6H;;;;/q;;;;+1.
What are the key properties of azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron?
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron has a molecular weight of 244.01 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron is sourced from PubChem (CID 134900349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).