lithium 1,4-dihydroindol-4-ide

C8H6LiN — CID 134894156

IUPAClithium 1,4-dihydroindol-4-ide
SMILES[Li+].[c-]1cccc2[nH]ccc12
InChIInChI=1S/C8H6N.Li/c1-2-4-8-7(3-1)5-6-9-8;/h1-2,4-6,9H;/q-1;+1
InChIKeyFUSNVCAVFMGHTQ-UHFFFAOYSA-N
MW123.08 g/mol
LogP-1.03
Rot. Bonds

About lithium 1,4-dihydroindol-4-ide

lithium 1,4-dihydroindol-4-ide (PubChem CID 134894156) has the molecular formula C8H6LiN and a molecular weight of 123.08 g/mol. Its IUPAC name is lithium 1,4-dihydroindol-4-ide.

Molecular Properties

Compound Namelithium 1,4-dihydroindol-4-ide
PubChem CID134894156
Molecular FormulaC8H6LiN
Molecular Weight123.08 g/mol
Exact Mass123.07
IUPAC Namelithium 1,4-dihydroindol-4-ide
SMILES[Li+].[c-]1cccc2[nH]ccc12
InChIInChI=1S/C8H6N.Li/c1-2-4-8-7(3-1)5-6-9-8;/h1-2,4-6,9H;/q-1;+1
InChIKeyFUSNVCAVFMGHTQ-UHFFFAOYSA-N
XLogP-1.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
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 1,4-dihydroindol-4-ide?
The IUPAC name of lithium 1,4-dihydroindol-4-ide (CID 134894156) is lithium 1,4-dihydroindol-4-ide.
What is the SMILES notation for lithium 1,4-dihydroindol-4-ide?
The canonical SMILES for lithium 1,4-dihydroindol-4-ide is [Li+].[c-]1cccc2[nH]ccc12.
What is the InChIKey of lithium 1,4-dihydroindol-4-ide?
The InChIKey is FUSNVCAVFMGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N.Li/c1-2-4-8-7(3-1)5-6-9-8;/h1-2,4-6,9H;/q-1;+1.
What are the key properties of lithium 1,4-dihydroindol-4-ide?
lithium 1,4-dihydroindol-4-ide has a molecular weight of 123.08 g/mol, XLogP of -1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,4-dihydroindol-4-ide is sourced from PubChem (CID 134894156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).