cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride

C9H14Cl2NOSiTi — CID 18690470

IUPACcyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride
SMILESC[Si](C)=CC(N)=O.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H5.C4H9NOSi.2ClH.Ti/c1-2-4-5-3-1;1-7(2)3-4(5)6;;;/h1-3H,4H2;3H,1-2H3,(H2,5,6);2*1H;/q-1;;;;+3/p-2
InChIKeyVYHLCFSIAKAAQB-UHFFFAOYSA-L
MW299.08 g/mol
LogP-5.08
Rot. Bonds1

About cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride

cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride (PubChem CID 18690470) has the molecular formula C9H14Cl2NOSiTi and a molecular weight of 299.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride
PubChem CID18690470
Molecular FormulaC9H14Cl2NOSiTi
Molecular Weight299.08 g/mol
Exact Mass297.97
IUPAC Namecyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride
SMILESC[Si](C)=CC(N)=O.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H5.C4H9NOSi.2ClH.Ti/c1-2-4-5-3-1;1-7(2)3-4(5)6;;;/h1-3H,4H2;3H,1-2H3,(H2,5,6);2*1H;/q-1;;;;+3/p-2
InChIKeyVYHLCFSIAKAAQB-UHFFFAOYSA-L
XLogP-5.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 5-5.08
H-Bond Donors ≤ 51
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 cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(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 cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride (CID 18690470) is cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride is C[Si](C)=CC(N)=O.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride?
The InChIKey is VYHLCFSIAKAAQB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C4H9NOSi.2ClH.Ti/c1-2-4-5-3-1;1-7(2)3-4(5)6;;;/h1-3H,4H2;3H,1-2H3,(H2,5,6);2*1H;/q-1;;;;+3/p-2.
What are the key properties of cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride?
cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride has a molecular weight of 299.08 g/mol, XLogP of -5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-dimethylsilylideneacetamide;titanium(3+);dichloride is sourced from PubChem (CID 18690470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).