bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)

C11H13Zr- — CID 173290010

IUPACbis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)
SMILESC=[Zr+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-]
InChIInChI=1S/2C5H5.CH2.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H2;;/q2*-1;;+2;-1
InChIKeyVCSJOLCIXIJNFU-UHFFFAOYSA-N
MW236.45 g/mol
LogP2.69
Rot. Bonds

About bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)

bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+) (PubChem CID 173290010) has the molecular formula C11H13Zr- and a molecular weight of 236.45 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)
PubChem CID173290010
Molecular FormulaC11H13Zr-
Molecular Weight236.45 g/mol
Exact Mass235.01
IUPAC Namebis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)
SMILESC=[Zr+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-]
InChIInChI=1S/2C5H5.CH2.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H2;;/q2*-1;;+2;-1
InChIKeyVCSJOLCIXIJNFU-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 52.69
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

bis(cyclopenta-1,3-diene);methylidenezirconium(2+);dichloride
CID 18407438
bis(cyclopenta-1,3-diene);ethene;hydride;zirconium(4+)
CID 159943507
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
cobalt;cyclopenta-1,3-diene;ethene
CID 173205523
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504
lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
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 bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+) (CID 173290010) is bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+) is C=[Zr+2].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-].
What is the InChIKey of bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)?
The InChIKey is VCSJOLCIXIJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CH2.Zr.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H2;;/q2*-1;;+2;-1.
What are the key properties of bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)?
bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+) has a molecular weight of 236.45 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+) is sourced from PubChem (CID 173290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).