cyclopenta-1,3-diene;zirconium(4+)

C5H5Zr+3 — CID 22421333

IUPACcyclopenta-1,3-diene;zirconium(4+)
SMILES[C-]1=CC=CC1.[Zr+4]
InChIInChI=1S/C5H5.Zr/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+4
InChIKeyCFDZGRNFXKWMNA-UHFFFAOYSA-N
MW156.32 g/mol
LogP1.30
Rot. Bonds

About cyclopenta-1,3-diene;zirconium(4+)

cyclopenta-1,3-diene;zirconium(4+) (PubChem CID 22421333) has the molecular formula C5H5Zr+3 and a molecular weight of 156.32 g/mol. Its IUPAC name is cyclopenta-1,3-diene;zirconium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;zirconium(4+)
PubChem CID22421333
Molecular FormulaC5H5Zr+3
Molecular Weight156.32 g/mol
Exact Mass154.94
IUPAC Namecyclopenta-1,3-diene;zirconium(4+)
SMILES[C-]1=CC=CC1.[Zr+4]
InChIInChI=1S/C5H5.Zr/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+4
InChIKeyCFDZGRNFXKWMNA-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.32
LogP ≤ 51.30
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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Related Compounds

bis(cyclopenta-1,3-diene);zirconium(4+);difluoride
CID 23354655
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
bis(cyclopenta-1,3-diene);ethene;hydride;zirconium(4+)
CID 159943507
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;zirconium(4+)?
The IUPAC name of cyclopenta-1,3-diene;zirconium(4+) (CID 22421333) is cyclopenta-1,3-diene;zirconium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;zirconium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;zirconium(4+) is [C-]1=CC=CC1.[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;zirconium(4+)?
The InChIKey is CFDZGRNFXKWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Zr/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+4.
What are the key properties of cyclopenta-1,3-diene;zirconium(4+)?
cyclopenta-1,3-diene;zirconium(4+) has a molecular weight of 156.32 g/mol, XLogP of 1.30, 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;zirconium(4+) is sourced from PubChem (CID 22421333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).