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

C11H23N3Zr — CID 75124254

IUPACcyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C5H5.3C2H6N.Zr/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q4*-1;+4
InChIKeySTHAQIJXOMGURG-UHFFFAOYSA-N
MW288.55 g/mol
LogP3.26
Rot. Bonds

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

cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+) (PubChem CID 75124254) has the molecular formula C11H23N3Zr and a molecular weight of 288.55 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
PubChem CID75124254
Molecular FormulaC11H23N3Zr
Molecular Weight288.55 g/mol
Exact Mass287.09
IUPAC Namecyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C5H5.3C2H6N.Zr/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q4*-1;+4
InChIKeySTHAQIJXOMGURG-UHFFFAOYSA-N
XLogP3.26
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+) 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 cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+) (CID 75124254) is cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+) is C[N-]C.C[N-]C.C[N-]C.[Zr+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)?
The InChIKey is STHAQIJXOMGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C2H6N.Zr/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)?
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+) has a molecular weight of 288.55 g/mol, XLogP of 3.26, 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;tris(dimethylazanide);zirconium(4+) is sourced from PubChem (CID 75124254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).