cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)

C11H14Zr-2 — CID 173138312

IUPACcyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
SMILESCC1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+2]
InChIInChI=1S/C6H7.C5H5.Zr.2H/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2,4H,3H2,1H3;1-3H,4H2;;;/q2*-1;+2;2*-1
InChIKeyFVLWOFHPGDXVPN-UHFFFAOYSA-N
MW237.46 g/mol
LogP3.22
Rot. Bonds

About cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)

cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) (PubChem CID 173138312) has the molecular formula C11H14Zr-2 and a molecular weight of 237.46 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
PubChem CID173138312
Molecular FormulaC11H14Zr-2
Molecular Weight237.46 g/mol
Exact Mass236.02
IUPAC Namecyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
SMILESCC1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+2]
InChIInChI=1S/C6H7.C5H5.Zr.2H/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2,4H,3H2,1H3;1-3H,4H2;;;/q2*-1;+2;2*-1
InChIKeyFVLWOFHPGDXVPN-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) with MolForge

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

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;ethane;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008550
benzene;cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008627
bis(cyclohexane);cyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173008631
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) (CID 173138312) is cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) is CC1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)?
The InChIKey is FVLWOFHPGDXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C5H5.Zr.2H/c1-6-4-2-3-5-6;1-2-4-5-3-1;;;/h2,4H,3H2,1H3;1-3H,4H2;;;/q2*-1;+2;2*-1.
What are the key properties of cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)?
cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) has a molecular weight of 237.46 g/mol, XLogP of 3.22, 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;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+) is sourced from PubChem (CID 173138312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).