lithium;cyclopenta-1,3-diene;hydride;zirconium

C5H6LiZr- — CID 175302928

IUPAClithium;cyclopenta-1,3-diene;hydride;zirconium
SMILES[C-]1=CC=CC1.[H-].[Li+].[Zr]
InChIInChI=1S/C5H5.Li.Zr.H/c1-2-4-5-3-1;;;/h1-3H,4H2;;;/q-1;+1;;-1
InChIKeyLJTFPWRYZGURFT-UHFFFAOYSA-N
MW164.27 g/mol
LogP-1.58
Rot. Bonds

About lithium;cyclopenta-1,3-diene;hydride;zirconium

lithium;cyclopenta-1,3-diene;hydride;zirconium (PubChem CID 175302928) has the molecular formula C5H6LiZr- and a molecular weight of 164.27 g/mol. Its IUPAC name is lithium;cyclopenta-1,3-diene;hydride;zirconium.

Molecular Properties

Compound Namelithium;cyclopenta-1,3-diene;hydride;zirconium
PubChem CID175302928
Molecular FormulaC5H6LiZr-
Molecular Weight164.27 g/mol
Exact Mass162.97
IUPAC Namelithium;cyclopenta-1,3-diene;hydride;zirconium
SMILES[C-]1=CC=CC1.[H-].[Li+].[Zr]
InChIInChI=1S/C5H5.Li.Zr.H/c1-2-4-5-3-1;;;/h1-3H,4H2;;;/q-1;+1;;-1
InChIKeyLJTFPWRYZGURFT-UHFFFAOYSA-N
XLogP-1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-1.58
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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Related Compounds

cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopenta-1,3-diene;hydride;zirconium?
The IUPAC name of lithium;cyclopenta-1,3-diene;hydride;zirconium (CID 175302928) is lithium;cyclopenta-1,3-diene;hydride;zirconium.
What is the SMILES notation for lithium;cyclopenta-1,3-diene;hydride;zirconium?
The canonical SMILES for lithium;cyclopenta-1,3-diene;hydride;zirconium is [C-]1=CC=CC1.[H-].[Li+].[Zr].
What is the InChIKey of lithium;cyclopenta-1,3-diene;hydride;zirconium?
The InChIKey is LJTFPWRYZGURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Li.Zr.H/c1-2-4-5-3-1;;;/h1-3H,4H2;;;/q-1;+1;;-1.
What are the key properties of lithium;cyclopenta-1,3-diene;hydride;zirconium?
lithium;cyclopenta-1,3-diene;hydride;zirconium has a molecular weight of 164.27 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cyclopenta-1,3-diene;hydride;zirconium is sourced from PubChem (CID 175302928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).