1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron

C10H9BrFe-2 — CID 57369550

IUPAC1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
SMILESBrc1ccc[cH-]1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;
InChIKeyGITYWQDVKLBSHK-UHFFFAOYSA-N
MW264.93 g/mol
LogP3.57
Rot. Bonds

About 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron

1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron (PubChem CID 57369550) has the molecular formula C10H9BrFe-2 and a molecular weight of 264.93 g/mol. Its IUPAC name is 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron.

Molecular Properties

Compound Name1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
PubChem CID57369550
Molecular FormulaC10H9BrFe-2
Molecular Weight264.93 g/mol
Exact Mass263.92
IUPAC Name1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
SMILESBrc1ccc[cH-]1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;
InChIKeyGITYWQDVKLBSHK-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.93
LogP ≤ 53.57
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'}

Analyze 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron with MolForge

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

Launch Full Analysis

Related Compounds

1-bromocyclopenta-1,3-diene;1-ethynylcyclopenta-1,3-diene;iron(2+)
CID 160778051
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(2-bromophenol);bis(cyclopenta-1,3-diene);zirconium(2+)
CID 141004794
cyclopenta-1,3-diene;iron(2+);1-prop-1-ynylcyclopenta-1,3-diene
CID 160569837
cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbonyl chloride;iron(2+)
CID 15194402
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110

Frequently Asked Questions

What is the IUPAC name of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron?
The IUPAC name of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron (CID 57369550) is 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron.
What is the SMILES notation for 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron?
The canonical SMILES for 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron is Brc1ccc[cH-]1.[Fe].c1cc[cH-]c1.
What is the InChIKey of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron?
The InChIKey is GITYWQDVKLBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;.
What are the key properties of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron?
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron has a molecular weight of 264.93 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron is sourced from PubChem (CID 57369550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).