carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)

C6H10Zr — CID 174257873

IUPACcarbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
SMILES[C-]1=CC=CC1.[CH3-].[H-].[H-].[Zr+4]
InChIInChI=1S/C5H5.CH3.Zr.2H/c1-2-4-5-3-1;;;;/h1-3H,4H2;1H3;;;/q2*-1;+4;2*-1
InChIKeyQZYFSIHQGRAJNH-UHFFFAOYSA-N
MW173.37 g/mol
LogP1.98
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)

carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+) (PubChem CID 174257873) has the molecular formula C6H10Zr and a molecular weight of 173.37 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
PubChem CID174257873
Molecular FormulaC6H10Zr
Molecular Weight173.37 g/mol
Exact Mass171.98
IUPAC Namecarbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
SMILES[C-]1=CC=CC1.[CH3-].[H-].[H-].[Zr+4]
InChIInChI=1S/C5H5.CH3.Zr.2H/c1-2-4-5-3-1;;;;/h1-3H,4H2;1H3;;;/q2*-1;+4;2*-1
InChIKeyQZYFSIHQGRAJNH-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.37
LogP ≤ 51.98
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

carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
cyclopenta-1,3-diene;zirconium(4+)
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CID 159943507
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
bis(cyclopenta-1,3-diene);zirconium(4+);difluoride
CID 23354655
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+) (CID 174257873) is carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+) is [C-]1=CC=CC1.[CH3-].[H-].[H-].[Zr+4].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)?
The InChIKey is QZYFSIHQGRAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.CH3.Zr.2H/c1-2-4-5-3-1;;;;/h1-3H,4H2;1H3;;;/q2*-1;+4;2*-1.
What are the key properties of carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)?
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+) has a molecular weight of 173.37 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+) is sourced from PubChem (CID 174257873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).