cyclopenta-1,3-diene;nickel;ruthenium(1+)

C5H5NiRu — CID 161314247

IUPACcyclopenta-1,3-diene;nickel;ruthenium(1+)
SMILES[Ni].[Ru+].c1cc[cH-]c1
InChIInChI=1S/C5H5.Ni.Ru/c1-2-4-5-3-1;;/h1-5H;;/q-1;;+1
InChIKeyVJHCVCPUQXVGHC-UHFFFAOYSA-N
MW224.86 g/mol
LogP1.40
Rot. Bonds

About cyclopenta-1,3-diene;nickel;ruthenium(1+)

cyclopenta-1,3-diene;nickel;ruthenium(1+) (PubChem CID 161314247) has the molecular formula C5H5NiRu and a molecular weight of 224.86 g/mol. Its IUPAC name is cyclopenta-1,3-diene;nickel;ruthenium(1+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;nickel;ruthenium(1+)
PubChem CID161314247
Molecular FormulaC5H5NiRu
Molecular Weight224.86 g/mol
Exact Mass224.88
IUPAC Namecyclopenta-1,3-diene;nickel;ruthenium(1+)
SMILES[Ni].[Ru+].c1cc[cH-]c1
InChIInChI=1S/C5H5.Ni.Ru/c1-2-4-5-3-1;;/h1-5H;;/q-1;;+1
InChIKeyVJHCVCPUQXVGHC-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.86
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;nickel;ruthenium(1+)?
The IUPAC name of cyclopenta-1,3-diene;nickel;ruthenium(1+) (CID 161314247) is cyclopenta-1,3-diene;nickel;ruthenium(1+).
What is the SMILES notation for cyclopenta-1,3-diene;nickel;ruthenium(1+)?
The canonical SMILES for cyclopenta-1,3-diene;nickel;ruthenium(1+) is [Ni].[Ru+].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;nickel;ruthenium(1+)?
The InChIKey is VJHCVCPUQXVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Ni.Ru/c1-2-4-5-3-1;;/h1-5H;;/q-1;;+1.
What are the key properties of cyclopenta-1,3-diene;nickel;ruthenium(1+)?
cyclopenta-1,3-diene;nickel;ruthenium(1+) has a molecular weight of 224.86 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;nickel;ruthenium(1+) is sourced from PubChem (CID 161314247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).