1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)

C6H9Cl4FeN2 — CID 69035349

IUPAC1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)
SMILESC=CC[NH+]1C=CN=C1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C6H8N2.4ClH.Fe/c1-2-4-8-5-3-7-6-8;;;;;/h2-3,5-6H,1,4H2;4*1H;/q;;;;;+3/p-3
InChIKeyJFMNHFPDNSRROB-UHFFFAOYSA-K
MW306.81 g/mol
LogP2.33
Rot. Bonds2

About 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)

1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-) (PubChem CID 69035349) has the molecular formula C6H9Cl4FeN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-).

Molecular Properties

Compound Name1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)
PubChem CID69035349
Molecular FormulaC6H9Cl4FeN2
Molecular Weight306.81 g/mol
Exact Mass304.89
IUPAC Name1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)
SMILESC=CC[NH+]1C=CN=C1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C6H8N2.4ClH.Fe/c1-2-4-8-5-3-7-6-8;;;;;/h2-3,5-6H,1,4H2;4*1H;/q;;;;;+3/p-3
InChIKeyJFMNHFPDNSRROB-UHFFFAOYSA-K
XLogP2.33
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)?
The IUPAC name of 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-) (CID 69035349) is 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-).
What is the SMILES notation for 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)?
The canonical SMILES for 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-) is C=CC[NH+]1C=CN=C1.Cl[Fe-](Cl)(Cl)Cl.
What is the InChIKey of 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)?
The InChIKey is JFMNHFPDNSRROB-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8N2.4ClH.Fe/c1-2-4-8-5-3-7-6-8;;;;;/h2-3,5-6H,1,4H2;4*1H;/q;;;;;+3/p-3.
What are the key properties of 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-)?
1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-) has a molecular weight of 306.81 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1H-imidazol-1-ium;tetrachloroiron(1-) is sourced from PubChem (CID 69035349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).