1-ethenyl-1H-indene;titanium(2+);dichloride

C11H10Cl2Ti — CID 86754272

IUPAC1-ethenyl-1H-indene;titanium(2+);dichloride
SMILESC=CC1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H10.2ClH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h2-9H,1H2;2*1H;/q;;;+2/p-2
InChIKeyZMMXRQJAVXKPEB-UHFFFAOYSA-L
MW260.97 g/mol
LogP-3.01
Rot. Bonds1

About 1-ethenyl-1H-indene;titanium(2+);dichloride

1-ethenyl-1H-indene;titanium(2+);dichloride (PubChem CID 86754272) has the molecular formula C11H10Cl2Ti and a molecular weight of 260.97 g/mol. Its IUPAC name is 1-ethenyl-1H-indene;titanium(2+);dichloride.

Molecular Properties

Compound Name1-ethenyl-1H-indene;titanium(2+);dichloride
PubChem CID86754272
Molecular FormulaC11H10Cl2Ti
Molecular Weight260.97 g/mol
Exact Mass259.96
IUPAC Name1-ethenyl-1H-indene;titanium(2+);dichloride
SMILESC=CC1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H10.2ClH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h2-9H,1H2;2*1H;/q;;;+2/p-2
InChIKeyZMMXRQJAVXKPEB-UHFFFAOYSA-L
XLogP-3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.97
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethenyl-1H-indene;titanium(2+);dichloride with MolForge

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

Launch Full Analysis

Related Compounds

1-prop-2-enoxy-1H-indene
CID 166691848
(1R)-N,N-bis(prop-2-enyl)-1H-inden-1-amine
CID 141284861
3-(1H-inden-1-yl)-2-methylprop-2-enoic acid
CID 67527584
(1R,2R)-2-prop-2-enoxy-1,2-dihydronaphthalen-1-ol
CID 11195024
1H-inden-1-amine
CID 14298803
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-methanidyl-1H-indene;zirconium
CID 172710761
tetrakis(1H-inden-1-yl)silane
CID 18688182
CID 10809432
CID 10809432
CID 119077465
CID 119077465
hydron;1H-inden-1-ol
CID 174812636
1-[(4-ethenylphenyl)methyl]-1H-indene
CID 170649356

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1H-indene;titanium(2+);dichloride?
The IUPAC name of 1-ethenyl-1H-indene;titanium(2+);dichloride (CID 86754272) is 1-ethenyl-1H-indene;titanium(2+);dichloride.
What is the SMILES notation for 1-ethenyl-1H-indene;titanium(2+);dichloride?
The canonical SMILES for 1-ethenyl-1H-indene;titanium(2+);dichloride is C=CC1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 1-ethenyl-1H-indene;titanium(2+);dichloride?
The InChIKey is ZMMXRQJAVXKPEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10.2ClH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h2-9H,1H2;2*1H;/q;;;+2/p-2.
What are the key properties of 1-ethenyl-1H-indene;titanium(2+);dichloride?
1-ethenyl-1H-indene;titanium(2+);dichloride has a molecular weight of 260.97 g/mol, XLogP of -3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1H-indene;titanium(2+);dichloride is sourced from PubChem (CID 86754272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).