2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)

C13H14Zr — CID 174380307

IUPAC2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)
SMILESC=C[CH2-].Cc1cc2ccccc2[cH-]1.[Zr+2]
InChIInChI=1S/C10H9.C3H5.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h2-7H,1H3;3H,1-2H2;/q2*-1;+2
InChIKeyFURYAGRVABMXDE-UHFFFAOYSA-N
MW261.48 g/mol
LogP3.87
Rot. Bonds

About 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)

2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+) (PubChem CID 174380307) has the molecular formula C13H14Zr and a molecular weight of 261.48 g/mol. Its IUPAC name is 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+).

Molecular Properties

Compound Name2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)
PubChem CID174380307
Molecular FormulaC13H14Zr
Molecular Weight261.48 g/mol
Exact Mass260.01
IUPAC Name2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)
SMILESC=C[CH2-].Cc1cc2ccccc2[cH-]1.[Zr+2]
InChIInChI=1S/C10H9.C3H5.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h2-7H,1H3;3H,1-2H2;/q2*-1;+2
InChIKeyFURYAGRVABMXDE-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 53.87
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

chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
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ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
CID 159549239
CID 159549239
CID 157447863
CID 157447863
CID 87107737
CID 87107737
CID 173223348
CID 173223348
CID 87864757
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meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
CID 173020208
CID 173020208
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
CID 173263871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)?
The IUPAC name of 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+) (CID 174380307) is 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+).
What is the SMILES notation for 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)?
The canonical SMILES for 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+) is C=C[CH2-].Cc1cc2ccccc2[cH-]1.[Zr+2].
What is the InChIKey of 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)?
The InChIKey is FURYAGRVABMXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C3H5.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;/h2-7H,1H3;3H,1-2H2;/q2*-1;+2.
What are the key properties of 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)?
2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+) has a molecular weight of 261.48 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+) is sourced from PubChem (CID 174380307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).