cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide

C15H22FeIN — CID 74219101

IUPACcyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide
SMILESCc1cc[cH-]c1C[N+](C)(C)C.[Fe+2].[I-].c1cc[cH-]c1
InChIInChI=1S/C10H17N.C5H5.Fe.HI/c1-9-6-5-7-10(9)8-11(2,3)4;1-2-4-5-3-1;;/h5-7H,8H2,1-4H3;1-5H;;1H/q;-1;+2;/p-1
InChIKeyVTRKPBNKXMGJNN-UHFFFAOYSA-M
MW399.10 g/mol
LogP0.33
Rot. Bonds2

About cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide

cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide (PubChem CID 74219101) has the molecular formula C15H22FeIN and a molecular weight of 399.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide
PubChem CID74219101
Molecular FormulaC15H22FeIN
Molecular Weight399.10 g/mol
Exact Mass399.01
IUPAC Namecyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide
SMILESCc1cc[cH-]c1C[N+](C)(C)C.[Fe+2].[I-].c1cc[cH-]c1
InChIInChI=1S/C10H17N.C5H5.Fe.HI/c1-9-6-5-7-10(9)8-11(2,3)4;1-2-4-5-3-1;;/h5-7H,8H2,1-4H3;1-5H;;1H/q;-1;+2;/p-1
InChIKeyVTRKPBNKXMGJNN-UHFFFAOYSA-M
XLogP0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 50.33
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide (CID 74219101) is cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide is Cc1cc[cH-]c1C[N+](C)(C)C.[Fe+2].[I-].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide?
The InChIKey is VTRKPBNKXMGJNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N.C5H5.Fe.HI/c1-9-6-5-7-10(9)8-11(2,3)4;1-2-4-5-3-1;;/h5-7H,8H2,1-4H3;1-5H;;1H/q;-1;+2;/p-1.
What are the key properties of cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide?
cyclopenta-1,3-diene;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide has a molecular weight of 399.10 g/mol, XLogP of 0.33, 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;iron(2+);trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium;iodide is sourced from PubChem (CID 74219101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).