lithium 3-methyl-1H-inden-1-ide

C10H9Li — CID 12810117

IUPAClithium 3-methyl-1H-inden-1-ide
SMILESCc1c[cH-]c2ccccc12.[Li+]
InChIInChI=1S/C10H9.Li/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1
InChIKeyYRZLLPDQOQDBSM-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.13
Rot. Bonds

About lithium 3-methyl-1H-inden-1-ide

lithium 3-methyl-1H-inden-1-ide (PubChem CID 12810117) has the molecular formula C10H9Li and a molecular weight of 136.12 g/mol. Its IUPAC name is lithium 3-methyl-1H-inden-1-ide.

Molecular Properties

Compound Namelithium 3-methyl-1H-inden-1-ide
PubChem CID12810117
Molecular FormulaC10H9Li
Molecular Weight136.12 g/mol
Exact Mass136.09
IUPAC Namelithium 3-methyl-1H-inden-1-ide
SMILESCc1c[cH-]c2ccccc12.[Li+]
InChIInChI=1S/C10H9.Li/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1
InChIKeyYRZLLPDQOQDBSM-UHFFFAOYSA-N
XLogP-0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3-methyl-1H-inden-1-ide?
The IUPAC name of lithium 3-methyl-1H-inden-1-ide (CID 12810117) is lithium 3-methyl-1H-inden-1-ide.
What is the SMILES notation for lithium 3-methyl-1H-inden-1-ide?
The canonical SMILES for lithium 3-methyl-1H-inden-1-ide is Cc1c[cH-]c2ccccc12.[Li+].
What is the InChIKey of lithium 3-methyl-1H-inden-1-ide?
The InChIKey is YRZLLPDQOQDBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.Li/c1-8-6-7-9-4-2-3-5-10(8)9;/h2-7H,1H3;/q-1;+1.
What are the key properties of lithium 3-methyl-1H-inden-1-ide?
lithium 3-methyl-1H-inden-1-ide has a molecular weight of 136.12 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methyl-1H-inden-1-ide is sourced from PubChem (CID 12810117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).