carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)

C11H13ClTi — CID 15198661

IUPACcarbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)
SMILESCl[Ti+3].[CH3-].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyATRSDJORNOLYAH-UHFFFAOYSA-M
MW228.55 g/mol
LogP3.95
Rot. Bonds

About carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)

carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) (PubChem CID 15198661) has the molecular formula C11H13ClTi and a molecular weight of 228.55 g/mol. Its IUPAC name is carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene).

Molecular Properties

Compound Namecarbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)
PubChem CID15198661
Molecular FormulaC11H13ClTi
Molecular Weight228.55 g/mol
Exact Mass228.02
IUPAC Namecarbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)
SMILESCl[Ti+3].[CH3-].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyATRSDJORNOLYAH-UHFFFAOYSA-M
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) 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 carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)?
The IUPAC name of carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) (CID 15198661) is carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene).
What is the SMILES notation for carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)?
The canonical SMILES for carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) is Cl[Ti+3].[CH3-].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)?
The InChIKey is ATRSDJORNOLYAH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.CH3.ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene)?
carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) has a molecular weight of 228.55 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlorotitanium(3+);bis(cyclopenta-1,3-diene) is sourced from PubChem (CID 15198661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).