lithium 1H-inden-1-ide

C9H7Li — CID 11116044

IUPAClithium 1H-inden-1-ide
SMILES[Li+].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Li/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1
InChIKeyDWWZPYPYUFXZTL-UHFFFAOYSA-N
MW122.10 g/mol
LogP-0.44
Rot. Bonds

About lithium 1H-inden-1-ide

lithium 1H-inden-1-ide (PubChem CID 11116044) has the molecular formula C9H7Li and a molecular weight of 122.10 g/mol. Its IUPAC name is lithium 1H-inden-1-ide.

Molecular Properties

Compound Namelithium 1H-inden-1-ide
PubChem CID11116044
Molecular FormulaC9H7Li
Molecular Weight122.10 g/mol
Exact Mass122.07
IUPAC Namelithium 1H-inden-1-ide
SMILES[Li+].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.Li/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1
InChIKeyDWWZPYPYUFXZTL-UHFFFAOYSA-N
XLogP-0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium 1H-inden-1-ide 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 lithium 1H-inden-1-ide?
The IUPAC name of lithium 1H-inden-1-ide (CID 11116044) is lithium 1H-inden-1-ide.
What is the SMILES notation for lithium 1H-inden-1-ide?
The canonical SMILES for lithium 1H-inden-1-ide is [Li+].c1ccc2[cH-]ccc2c1.
What is the InChIKey of lithium 1H-inden-1-ide?
The InChIKey is DWWZPYPYUFXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.Li/c1-2-5-9-7-3-6-8(9)4-1;/h1-7H;/q-1;+1.
What are the key properties of lithium 1H-inden-1-ide?
lithium 1H-inden-1-ide has a molecular weight of 122.10 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1H-inden-1-ide is sourced from PubChem (CID 11116044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).