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

C13H14Fe — CID 161401239

IUPACcyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
SMILESCC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C8H9.C5H5.Fe/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2
InChIKeyVUGPBKATBHXPJK-UHFFFAOYSA-N
MW226.10 g/mol
LogP3.84
Rot. Bonds1

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

cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene (PubChem CID 161401239) has the molecular formula C13H14Fe and a molecular weight of 226.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
PubChem CID161401239
Molecular FormulaC13H14Fe
Molecular Weight226.10 g/mol
Exact Mass226.04
IUPAC Namecyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
SMILESCC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C8H9.C5H5.Fe/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2
InChIKeyVUGPBKATBHXPJK-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 53.84
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

5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 131724260
cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
CID 15809045
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
bis(cyclopenta-1,3-diene);iron(2+);palladium(2+)
CID 175701268
bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
CID 15959857
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
CID 75124254
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(2+)
CID 15242028
cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)
CID 170995244
CID 160679400
CID 160679400
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);gold
CID 140990202

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene (CID 161401239) is cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene is CC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene?
The InChIKey is VUGPBKATBHXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C5H5.Fe/c1-2-5-8-6-3-4-7-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene?
cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene has a molecular weight of 226.10 g/mol, XLogP of 3.84, 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;iron(2+);5-prop-1-enylcyclopenta-1,3-diene is sourced from PubChem (CID 161401239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).