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

C10H16Cl2NOSiTi — CID 18690457

IUPACcyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride
SMILESCC(C(N)=O)=[Si](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11NOSi.C5H5.2ClH.Ti/c1-4(5(6)7)8(2)3;1-2-4-5-3-1;;;/h1-3H3,(H2,6,7);1-3H,4H2;2*1H;/q;-1;;;+3/p-2
InChIKeyMTYKRPCEEFZELJ-UHFFFAOYSA-L
MW313.10 g/mol
LogP-4.69
Rot. Bonds1

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

cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride (PubChem CID 18690457) has the molecular formula C10H16Cl2NOSiTi and a molecular weight of 313.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride
PubChem CID18690457
Molecular FormulaC10H16Cl2NOSiTi
Molecular Weight313.10 g/mol
Exact Mass311.99
IUPAC Namecyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride
SMILESCC(C(N)=O)=[Si](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11NOSi.C5H5.2ClH.Ti/c1-4(5(6)7)8(2)3;1-2-4-5-3-1;;;/h1-3H3,(H2,6,7);1-3H,4H2;2*1H;/q;-1;;;+3/p-2
InChIKeyMTYKRPCEEFZELJ-UHFFFAOYSA-L
XLogP-4.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 5-4.69
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride (CID 18690457) is cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride is CC(C(N)=O)=[Si](C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride?
The InChIKey is MTYKRPCEEFZELJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11NOSi.C5H5.2ClH.Ti/c1-4(5(6)7)8(2)3;1-2-4-5-3-1;;;/h1-3H3,(H2,6,7);1-3H,4H2;2*1H;/q;-1;;;+3/p-2.
What are the key properties of cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride?
cyclopenta-1,3-diene;2-dimethylsilylidenepropanamide;titanium(3+);dichloride has a molecular weight of 313.10 g/mol, XLogP of -4.69, 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-dimethylsilylidenepropanamide;titanium(3+);dichloride is sourced from PubChem (CID 18690457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).