cyclopenta-1,3-diene;hydride;zirconium

C5H6Zr-2 — CID 173316209

IUPACcyclopenta-1,3-diene;hydride;zirconium
SMILES[C-]1=CC=CC1.[H-].[Zr]
InChIInChI=1S/C5H5.Zr.H/c1-2-4-5-3-1;;/h1-3H,4H2;;/q-1;;-1
InChIKeyGAQNBXOMKVKYLV-UHFFFAOYSA-N
MW157.33 g/mol
LogP1.42
Rot. Bonds

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

cyclopenta-1,3-diene;hydride;zirconium (PubChem CID 173316209) has the molecular formula C5H6Zr-2 and a molecular weight of 157.33 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hydride;zirconium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hydride;zirconium
PubChem CID173316209
Molecular FormulaC5H6Zr-2
Molecular Weight157.33 g/mol
Exact Mass155.95
IUPAC Namecyclopenta-1,3-diene;hydride;zirconium
SMILES[C-]1=CC=CC1.[H-].[Zr]
InChIInChI=1S/C5H5.Zr.H/c1-2-4-5-3-1;;/h1-3H,4H2;;/q-1;;-1
InChIKeyGAQNBXOMKVKYLV-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.33
LogP ≤ 51.42
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

lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hydride;zirconium?
The IUPAC name of cyclopenta-1,3-diene;hydride;zirconium (CID 173316209) is cyclopenta-1,3-diene;hydride;zirconium.
What is the SMILES notation for cyclopenta-1,3-diene;hydride;zirconium?
The canonical SMILES for cyclopenta-1,3-diene;hydride;zirconium is [C-]1=CC=CC1.[H-].[Zr].
What is the InChIKey of cyclopenta-1,3-diene;hydride;zirconium?
The InChIKey is GAQNBXOMKVKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Zr.H/c1-2-4-5-3-1;;/h1-3H,4H2;;/q-1;;-1.
What are the key properties of cyclopenta-1,3-diene;hydride;zirconium?
cyclopenta-1,3-diene;hydride;zirconium has a molecular weight of 157.33 g/mol, XLogP of 1.42, 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;zirconium is sourced from PubChem (CID 173316209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).