Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide

C7H7Li — CID 12644165

IUPAC—
SMILESC1=CC2C=CC1[CH-]2.[Li+]
InChIInChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-7H;/q-1;+1
InChIKeyPTWAQJCAVMXCQH-UHFFFAOYSA-N
MW98.07 g/mol
LogP-1.43
Rot. Bonds

About Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide

Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide (PubChem CID 12644165) has the molecular formula C7H7Li and a molecular weight of 98.07 g/mol.

Molecular Properties

Compound NameLithium bicyclo[2.2.1]hepta-2,5-dien-7-ide
PubChem CID12644165
Molecular FormulaC7H7Li
Molecular Weight98.07 g/mol
Exact Mass98.07
IUPAC Name—
SMILESC1=CC2C=CC1[CH-]2.[Li+]
InChIInChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-7H;/q-1;+1
InChIKeyPTWAQJCAVMXCQH-UHFFFAOYSA-N
XLogP-1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.07
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide?
The IUPAC name of Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide (CID 12644165) is not available.
What is the SMILES notation for Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide?
The canonical SMILES for Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide is C1=CC2C=CC1[CH-]2.[Li+].
What is the InChIKey of Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide?
The InChIKey is PTWAQJCAVMXCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-7H;/q-1;+1.
What are the key properties of Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide?
Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide has a molecular weight of 98.07 g/mol, XLogP of -1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide is sourced from PubChem (CID 12644165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).