cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)

C12H14FeIN — CID 131729052

IUPACcyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)
SMILESCN(C)c1ccc[c-]1I.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H9IN.C5H5.Fe/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;/h3-5H,1-2H3;1-5H;/q2*-1;+2
InChIKeyHUWDXTQMRISEEH-UHFFFAOYSA-N
MW355.00 g/mol
LogP3.48
Rot. Bonds1

About cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)

cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) (PubChem CID 131729052) has the molecular formula C12H14FeIN and a molecular weight of 355.00 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)
PubChem CID131729052
Molecular FormulaC12H14FeIN
Molecular Weight355.00 g/mol
Exact Mass354.95
IUPAC Namecyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)
SMILESCN(C)c1ccc[c-]1I.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H9IN.C5H5.Fe/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;/h3-5H,1-2H3;1-5H;/q2*-1;+2
InChIKeyHUWDXTQMRISEEH-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) (CID 131729052) is cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) is CN(C)c1ccc[c-]1I.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)?
The InChIKey is HUWDXTQMRISEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN.C5H5.Fe/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;/h3-5H,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)?
cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) has a molecular weight of 355.00 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+) is sourced from PubChem (CID 131729052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).