2,3-dihydroinden-1-ylidenezirconium(2+)

C9H8Zr+2 — CID 162023377

IUPAC2,3-dihydroinden-1-ylidenezirconium(2+)
SMILES[Zr+2]=C1CCc2ccccc21
InChIInChI=1S/C9H8.Zr/c1-2-5-9-7-3-6-8(9)4-1;/h1-2,4-5H,3,6H2;/q;+2
InChIKeyBBDHUHMONWCIGV-UHFFFAOYSA-N
MW207.39 g/mol
LogP1.70
Rot. Bonds

About 2,3-dihydroinden-1-ylidenezirconium(2+)

2,3-dihydroinden-1-ylidenezirconium(2+) (PubChem CID 162023377) has the molecular formula C9H8Zr+2 and a molecular weight of 207.39 g/mol. Its IUPAC name is 2,3-dihydroinden-1-ylidenezirconium(2+).

Molecular Properties

Compound Name2,3-dihydroinden-1-ylidenezirconium(2+)
PubChem CID162023377
Molecular FormulaC9H8Zr+2
Molecular Weight207.39 g/mol
Exact Mass205.97
IUPAC Name2,3-dihydroinden-1-ylidenezirconium(2+)
SMILES[Zr+2]=C1CCc2ccccc21
InChIInChI=1S/C9H8.Zr/c1-2-5-9-7-3-6-8(9)4-1;/h1-2,4-5H,3,6H2;/q;+2
InChIKeyBBDHUHMONWCIGV-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12568460
9,10-dihydrophenanthrene;ethane
CID 143759681
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
2,3-dihydroindene-1-thione;ethane
CID 142140670
3-methylidene-1,2-dihydroindene
CID 136697279
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854372
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
4-cyclopropylidene-2,3-dihydro-1H-naphthalene
CID 71426688

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-ylidenezirconium(2+)?
The IUPAC name of 2,3-dihydroinden-1-ylidenezirconium(2+) (CID 162023377) is 2,3-dihydroinden-1-ylidenezirconium(2+).
What is the SMILES notation for 2,3-dihydroinden-1-ylidenezirconium(2+)?
The canonical SMILES for 2,3-dihydroinden-1-ylidenezirconium(2+) is [Zr+2]=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-ylidenezirconium(2+)?
The InChIKey is BBDHUHMONWCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.Zr/c1-2-5-9-7-3-6-8(9)4-1;/h1-2,4-5H,3,6H2;/q;+2.
What are the key properties of 2,3-dihydroinden-1-ylidenezirconium(2+)?
2,3-dihydroinden-1-ylidenezirconium(2+) has a molecular weight of 207.39 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-ylidenezirconium(2+) is sourced from PubChem (CID 162023377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).