cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron

C12H12Fe-2 — CID 25200006

IUPACcyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron
SMILESC=Cc1cc[cH-]c1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;
InChIKeyAIZWEJPSXAQQRF-UHFFFAOYSA-N
MW212.07 g/mol
LogP3.45
Rot. Bonds1

About cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron

cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron (PubChem CID 25200006) has the molecular formula C12H12Fe-2 and a molecular weight of 212.07 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron
PubChem CID25200006
Molecular FormulaC12H12Fe-2
Molecular Weight212.07 g/mol
Exact Mass212.03
IUPAC Namecyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron
SMILESC=Cc1cc[cH-]c1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;
InChIKeyAIZWEJPSXAQQRF-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.07
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron?
The IUPAC name of cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron (CID 25200006) is cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron.
What is the SMILES notation for cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron?
The canonical SMILES for cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron is C=Cc1cc[cH-]c1.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron?
The InChIKey is AIZWEJPSXAQQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;/q2*-1;.
What are the key properties of cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron?
cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron has a molecular weight of 212.07 g/mol, XLogP of 3.45, 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;2-ethenylcyclopenta-1,3-diene;iron is sourced from PubChem (CID 25200006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).