2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride

C20H20Cl2NSiZr — CID 173212821

IUPAC2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
SMILESCC1=NC2=CC=C3C2=C1[Si]3(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H11NSi.C10H9.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-5H,1-3H3;2-7H,1H3;2*1H;/q;-1;;;+3/p-2
InChIKeyBMGZPFXAZIVROA-UHFFFAOYSA-L
MW464.60 g/mol
LogP-0.75
Rot. Bonds

About 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride

2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride (PubChem CID 173212821) has the molecular formula C20H20Cl2NSiZr and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
PubChem CID173212821
Molecular FormulaC20H20Cl2NSiZr
Molecular Weight464.60 g/mol
Exact Mass461.98
IUPAC Name2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
SMILESCC1=NC2=CC=C3C2=C1[Si]3(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C10H11NSi.C10H9.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-5H,1-3H3;2-7H,1H3;2*1H;/q;-1;;;+3/p-2
InChIKeyBMGZPFXAZIVROA-UHFFFAOYSA-L
XLogP-0.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The IUPAC name of 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride (CID 173212821) is 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride.
What is the SMILES notation for 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The canonical SMILES for 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride is CC1=NC2=CC=C3C2=C1[Si]3(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The InChIKey is BMGZPFXAZIVROA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11NSi.C10H9.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-8-6-9-4-2-3-5-10(9)7-8;;;/h4-5H,1-3H3;2-7H,1H3;2*1H;/q;-1;;;+3/p-2.
What are the key properties of 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride has a molecular weight of 464.60 g/mol, XLogP of -0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride is sourced from PubChem (CID 173212821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).