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

C7H11Cl2NZr — CID 23363187

IUPACcyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
SMILESC[N-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C2H6N.2ClH.Zr/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUKCOSGVCUVYURW-UHFFFAOYSA-L
MW271.30 g/mol
LogP-4.07
Rot. Bonds

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

cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride (PubChem CID 23363187) has the molecular formula C7H11Cl2NZr and a molecular weight of 271.30 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
PubChem CID23363187
Molecular FormulaC7H11Cl2NZr
Molecular Weight271.30 g/mol
Exact Mass268.93
IUPAC Namecyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
SMILESC[N-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C2H6N.2ClH.Zr/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUKCOSGVCUVYURW-UHFFFAOYSA-L
XLogP-4.07
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-4.07
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 cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride (CID 23363187) is cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride is C[N-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride?
The InChIKey is UKCOSGVCUVYURW-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C2H6N.2ClH.Zr/c1-2-4-5-3-1;1-3-2;;;/h1-3H,4H2;1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride?
cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride has a molecular weight of 271.30 g/mol, XLogP of -4.07, 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;dimethylazanide;zirconium(4+);dichloride is sourced from PubChem (CID 23363187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).