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

C12H16Zr — CID 72747194

IUPACcarbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
SMILES[CH3-].[CH3-].[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CH3.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q4*-1;+4
InChIKeyFOJOHGYNJWTFHE-UHFFFAOYSA-N
MW251.48 g/mol
LogP3.71
Rot. Bonds

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

carbanide;bis(cyclopenta-1,3-diene);zirconium(4+) (PubChem CID 72747194) has the molecular formula C12H16Zr and a molecular weight of 251.48 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);zirconium(4+).

Molecular Properties

Compound Namecarbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
PubChem CID72747194
Molecular FormulaC12H16Zr
Molecular Weight251.48 g/mol
Exact Mass250.03
IUPAC Namecarbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
SMILES[CH3-].[CH3-].[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CH3.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q4*-1;+4
InChIKeyFOJOHGYNJWTFHE-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;bis(cyclopenta-1,3-diene);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 carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)?
The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);zirconium(4+) (CID 72747194) is carbanide;bis(cyclopenta-1,3-diene);zirconium(4+).
What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)?
The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);zirconium(4+) is [CH3-].[CH3-].[Zr+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)?
The InChIKey is FOJOHGYNJWTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CH3.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)?
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+) has a molecular weight of 251.48 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopenta-1,3-diene);zirconium(4+) is sourced from PubChem (CID 72747194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).