cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)

C12H14Fe — CID 15776323

IUPACcyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
SMILESCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;/q2*-1;+2
InChIKeyFCNXGBYXGSKCDG-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.37
Rot. Bonds1

About cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)

cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+) (PubChem CID 15776323) has the molecular formula C12H14Fe and a molecular weight of 214.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
PubChem CID15776323
Molecular FormulaC12H14Fe
Molecular Weight214.09 g/mol
Exact Mass214.04
IUPAC Namecyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
SMILESCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;/q2*-1;+2
InChIKeyFCNXGBYXGSKCDG-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;dichloride
CID 161016929
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
CID 15807877
ethanolate;bis(5-ethylcyclopenta-1,3-diene);zirconium(4+)
CID 158296157
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-ylacetic acid;iron(2+)
CID 15768501
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine;zirconium(4+);dichloride
CID 159810110
cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)
CID 170995252
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
bis(cyclopenta-1,3-diene);iron(2+);palladium(2+)
CID 175701268
cyclopenta-1,3-diene;ethanol;titanium
CID 23263646
bis(cyclohexa-1,3-diene);5-ethylcyclopenta-1,3-diene;iridium
CID 158508504
cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
CID 161401239
bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
CID 15959857

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+) (CID 15776323) is cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+) is CC[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)?
The InChIKey is FCNXGBYXGSKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)?
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+) has a molecular weight of 214.09 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 15776323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).