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

C10H9BrFe — CID 15499608

IUPAC1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESBrc1ccc[cH-]1.[Fe+2].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;+2
InChIKeyCHIMDMPJABIKAI-UHFFFAOYSA-N
MW264.93 g/mol
LogP3.57
Rot. Bonds

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

1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (PubChem CID 15499608) has the molecular formula C10H9BrFe and a molecular weight of 264.93 g/mol. Its IUPAC name is 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
PubChem CID15499608
Molecular FormulaC10H9BrFe
Molecular Weight264.93 g/mol
Exact Mass263.92
IUPAC Name1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESBrc1ccc[cH-]1.[Fe+2].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;+2
InChIKeyCHIMDMPJABIKAI-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'}

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Related Compounds

Dibromoferrocene
CID 15181852
(Bromocyclopentadienyl)cyclopentadienyl-iron
CID 15826722
Ferrocene, bromo-
CID 71310990
Bromoruthenocene
CID 129676204
1,1'-Dibromoruthenocene
CID 139641147
CID 11984637
CID 11984637
2'-Bromochloroferrocene
CID 129805596
2-Chlorobromoferrocene
CID 129805622
(5-Bromocyclopenta-1,3-dien-1-yl)-tributylstannane
CID 138976590
1,1',2,2'-Tetrabromoferrocene
CID 171392748
Cyclopenten-1-yl-fluoro-phenyl-lambda3-bromane
CID 101476852
Bromobenzene;bis(cyclopenta-1,3-diene);titanium(2+)
CID 19353025

Frequently Asked Questions

What is the IUPAC name of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (CID 15499608) is 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is Brc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is CHIMDMPJABIKAI-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;+2.
What are the key properties of 1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) 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(2+) is sourced from PubChem (CID 15499608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).