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

C11H14Zr+ — CID 175233850

IUPACcarbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
SMILES[CH3-].[H+].[Zr+3].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.Zr/c2*1-2-4-5-3-1;;/h2*1-5H;1H3;/q3*-1;+3/p+1
InChIKeyALIUYNFDYOHCIN-UHFFFAOYSA-O
MW237.46 g/mol
LogP3.37
Rot. Bonds

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

carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+) (PubChem CID 175233850) has the molecular formula C11H14Zr+ and a molecular weight of 237.46 g/mol. Its IUPAC name is carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+).

Molecular Properties

Compound Namecarbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
PubChem CID175233850
Molecular FormulaC11H14Zr+
Molecular Weight237.46 g/mol
Exact Mass236.01
IUPAC Namecarbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
SMILES[CH3-].[H+].[Zr+3].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.Zr/c2*1-2-4-5-3-1;;/h2*1-5H;1H3;/q3*-1;+3/p+1
InChIKeyALIUYNFDYOHCIN-UHFFFAOYSA-O
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.46
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)?
The IUPAC name of carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+) (CID 175233850) is carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+).
What is the SMILES notation for carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)?
The canonical SMILES for carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+) is [CH3-].[H+].[Zr+3].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)?
The InChIKey is ALIUYNFDYOHCIN-UHFFFAOYSA-O. The full InChI is InChI=1S/2C5H5.CH3.Zr/c2*1-2-4-5-3-1;;/h2*1-5H;1H3;/q3*-1;+3/p+1.
What are the key properties of carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)?
carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+) has a molecular weight of 237.46 g/mol, XLogP of 3.37, 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);hydron;zirconium(3+) is sourced from PubChem (CID 175233850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).