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

C10H9FeI — CID 91885277

IUPACcyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)
SMILESIC1=[C-]CC=C1.[C-]1=CC=CC1.[Fe+2]
InChIInChI=1S/C5H4I.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2
InChIKeyMPUKSIYKIZHHSN-UHFFFAOYSA-N
MW311.93 g/mol
LogP3.37
Rot. Bonds

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

cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+) (PubChem CID 91885277) has the molecular formula C10H9FeI and a molecular weight of 311.93 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)
PubChem CID91885277
Molecular FormulaC10H9FeI
Molecular Weight311.93 g/mol
Exact Mass311.91
IUPAC Namecyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)
SMILESIC1=[C-]CC=C1.[C-]1=CC=CC1.[Fe+2]
InChIInChI=1S/C5H4I.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2
InChIKeyMPUKSIYKIZHHSN-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.93
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 18764321
cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylgermane;hydride;zirconium(4+)
CID 173221785
cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
CID 173138312
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773
cyclopenta-1,3-diene;diiodoruthenium
CID 140608336

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+) (CID 91885277) is cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+) is IC1=[C-]CC=C1.[C-]1=CC=CC1.[Fe+2].
What is the InChIKey of cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)?
The InChIKey is MPUKSIYKIZHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4I.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)?
cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+) has a molecular weight of 311.93 g/mol, XLogP of 3.37, 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;2-iodocyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 91885277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).