carbon monoxide;cyclobutadiene;iron

C7H4FeO3 — CID 10921352

IUPACcarbon monoxide;cyclobutadiene;iron
SMILESC1=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C4H4.3CO.Fe/c1-2-4-3-1;3*1-2;/h1-4H;;;;
InChIKeyPHCIVYPTULNGTJ-UHFFFAOYSA-N
MW191.95 g/mol
LogP1.00
Rot. Bonds

About carbon monoxide;cyclobutadiene;iron

carbon monoxide;cyclobutadiene;iron (PubChem CID 10921352) has the molecular formula C7H4FeO3 and a molecular weight of 191.95 g/mol. Its IUPAC name is carbon monoxide;cyclobutadiene;iron.

Molecular Properties

Compound Namecarbon monoxide;cyclobutadiene;iron
PubChem CID10921352
Molecular FormulaC7H4FeO3
Molecular Weight191.95 g/mol
Exact Mass191.95
IUPAC Namecarbon monoxide;cyclobutadiene;iron
SMILESC1=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C4H4.3CO.Fe/c1-2-4-3-1;3*1-2;/h1-4H;;;;
InChIKeyPHCIVYPTULNGTJ-UHFFFAOYSA-N
XLogP1.00
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.95
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 carbon monoxide;cyclobutadiene;iron?
The IUPAC name of carbon monoxide;cyclobutadiene;iron (CID 10921352) is carbon monoxide;cyclobutadiene;iron.
What is the SMILES notation for carbon monoxide;cyclobutadiene;iron?
The canonical SMILES for carbon monoxide;cyclobutadiene;iron is C1=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;cyclobutadiene;iron?
The InChIKey is PHCIVYPTULNGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4.3CO.Fe/c1-2-4-3-1;3*1-2;/h1-4H;;;;.
What are the key properties of carbon monoxide;cyclobutadiene;iron?
carbon monoxide;cyclobutadiene;iron has a molecular weight of 191.95 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclobutadiene;iron is sourced from PubChem (CID 10921352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).