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

C14H14Fe — CID 131724260

IUPAC5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESC=CC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H9.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h2-8H,1H2;1-5H;/q2*-1;+2
InChIKeyWSBITBYIJJHACL-UHFFFAOYSA-N
MW238.11 g/mol
LogP4.01
Rot. Bonds2

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

5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (PubChem CID 131724260) has the molecular formula C14H14Fe and a molecular weight of 238.11 g/mol. Its IUPAC name is 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
PubChem CID131724260
Molecular FormulaC14H14Fe
Molecular Weight238.11 g/mol
Exact Mass238.04
IUPAC Name5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESC=CC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H9.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h2-8H,1H2;1-5H;/q2*-1;+2
InChIKeyWSBITBYIJJHACL-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 54.01
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
CID 15809045
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
bis(cyclopenta-1,3-diene);di(cyclopenta-2,4-dien-1-yl)mercury;bis(iron(2+))
CID 15959857
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
cobalt;cyclopenta-1,3-diene
CID 25199992
cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)
CID 169087261
bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
CID 175980799
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(2+)
CID 15242028
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (CID 131724260) is 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is C=CC=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is WSBITBYIJJHACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h2-8H,1H2;1-5H;/q2*-1;+2.
What are the key properties of 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 238.11 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dienylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 131724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).