1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride

C15H14Cl2Zr — CID 161121876

IUPAC1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2-5H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFUWMFKMMBBGTLL-UHFFFAOYSA-L
MW356.41 g/mol
LogP-1.72
Rot. Bonds

About 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride

1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 161121876) has the molecular formula C15H14Cl2Zr and a molecular weight of 356.41 g/mol. Its IUPAC name is 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID161121876
Molecular FormulaC15H14Cl2Zr
Molecular Weight356.41 g/mol
Exact Mass353.95
IUPAC Name1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2-5H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFUWMFKMMBBGTLL-UHFFFAOYSA-L
XLogP-1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 161121876) is 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride is C[c-]1cccc1.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is FUWMFKMMBBGTLL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C6H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-2-3-5-6;;;/h1-7H;2-5H,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride?
1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 356.41 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 161121876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).