cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)

C12H10Fe+4 — CID 139251409

IUPACcyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)
SMILESC#C[c-]1cccc1.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+6
InChIKeyNMPMVEJWKISYAD-UHFFFAOYSA-N
MW210.06 g/mol
LogP2.79
Rot. Bonds

About cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)

cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+) (PubChem CID 139251409) has the molecular formula C12H10Fe+4 and a molecular weight of 210.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)
PubChem CID139251409
Molecular FormulaC12H10Fe+4
Molecular Weight210.06 g/mol
Exact Mass210.01
IUPAC Namecyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)
SMILESC#C[c-]1cccc1.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+6
InChIKeyNMPMVEJWKISYAD-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.79
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)?
The IUPAC name of cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+) (CID 139251409) is cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+).
What is the SMILES notation for cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)?
The canonical SMILES for cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+) is C#C[c-]1cccc1.[Fe+6].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)?
The InChIKey is NMPMVEJWKISYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+6.
What are the key properties of cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+)?
cyclopenta-1,3-diene;5-ethynylcyclopenta-1,3-diene;iron(6+) has a molecular weight of 210.06 g/mol, XLogP of 2.79, 0 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-ethynylcyclopenta-1,3-diene;iron(6+) is sourced from PubChem (CID 139251409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).