cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride

C14H20ClFeN — CID 146680213

IUPACcyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
SMILESC[N+](C)(C)Cc1ccc[cH-]1.[Cl-].[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H15N.C5H5.ClH.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;1H;/q;-1;;+2/p-1
InChIKeyIVQIXUCSDNCTDO-UHFFFAOYSA-M
MW293.62 g/mol
LogP0.02
Rot. Bonds2

About cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride

cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride (PubChem CID 146680213) has the molecular formula C14H20ClFeN and a molecular weight of 293.62 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
PubChem CID146680213
Molecular FormulaC14H20ClFeN
Molecular Weight293.62 g/mol
Exact Mass293.06
IUPAC Namecyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
SMILESC[N+](C)(C)Cc1ccc[cH-]1.[Cl-].[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H15N.C5H5.ClH.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;1H;/q;-1;;+2/p-1
InChIKeyIVQIXUCSDNCTDO-UHFFFAOYSA-M
XLogP0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 50.02
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride 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;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride (CID 146680213) is cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride is C[N+](C)(C)Cc1ccc[cH-]1.[Cl-].[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride?
The InChIKey is IVQIXUCSDNCTDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N.C5H5.ClH.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;1H;/q;-1;;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride?
cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride has a molecular weight of 293.62 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride is sourced from PubChem (CID 146680213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).