cyclopenta-1,3-diene;ethene;zirconium

C7H9Zr- — CID 173040217

IUPACcyclopenta-1,3-diene;ethene;zirconium
SMILESC=C.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C5H5.C2H4.Zr/c1-2-4-5-3-1;1-2;/h1-3H,4H2;1-2H2;/q-1;;
InChIKeyGQCRZLJILJBHIA-UHFFFAOYSA-N
MW184.37 g/mol
LogP2.11
Rot. Bonds

About cyclopenta-1,3-diene;ethene;zirconium

cyclopenta-1,3-diene;ethene;zirconium (PubChem CID 173040217) has the molecular formula C7H9Zr- and a molecular weight of 184.37 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethene;zirconium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethene;zirconium
PubChem CID173040217
Molecular FormulaC7H9Zr-
Molecular Weight184.37 g/mol
Exact Mass182.98
IUPAC Namecyclopenta-1,3-diene;ethene;zirconium
SMILESC=C.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C5H5.C2H4.Zr/c1-2-4-5-3-1;1-2;/h1-3H,4H2;1-2H2;/q-1;;
InChIKeyGQCRZLJILJBHIA-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cobalt;cyclopenta-1,3-diene;ethene
CID 173205523
bis(cyclopenta-1,3-diene);ethene;hydride;zirconium(4+)
CID 159943507
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethene;zirconium?
The IUPAC name of cyclopenta-1,3-diene;ethene;zirconium (CID 173040217) is cyclopenta-1,3-diene;ethene;zirconium.
What is the SMILES notation for cyclopenta-1,3-diene;ethene;zirconium?
The canonical SMILES for cyclopenta-1,3-diene;ethene;zirconium is C=C.[C-]1=CC=CC1.[Zr].
What is the InChIKey of cyclopenta-1,3-diene;ethene;zirconium?
The InChIKey is GQCRZLJILJBHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C2H4.Zr/c1-2-4-5-3-1;1-2;/h1-3H,4H2;1-2H2;/q-1;;.
What are the key properties of cyclopenta-1,3-diene;ethene;zirconium?
cyclopenta-1,3-diene;ethene;zirconium has a molecular weight of 184.37 g/mol, XLogP of 2.11, 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;ethene;zirconium is sourced from PubChem (CID 173040217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).