lithium 1,2-dihydroazulen-1-ide

C10H9Li — CID 164901543

IUPAClithium 1,2-dihydroazulen-1-ide
SMILESC1=CC=C2[CH-]CC=C2C=C1.[Li+]
InChIInChI=1S/C10H9.Li/c1-2-5-9-7-4-8-10(9)6-3-1;/h1-3,5-8H,4H2;/q-1;+1
InChIKeyOFMIGFFUMBHWIZ-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.42
Rot. Bonds

About lithium 1,2-dihydroazulen-1-ide

lithium 1,2-dihydroazulen-1-ide (PubChem CID 164901543) has the molecular formula C10H9Li and a molecular weight of 136.12 g/mol. Its IUPAC name is lithium 1,2-dihydroazulen-1-ide.

Molecular Properties

Compound Namelithium 1,2-dihydroazulen-1-ide
PubChem CID164901543
Molecular FormulaC10H9Li
Molecular Weight136.12 g/mol
Exact Mass136.09
IUPAC Namelithium 1,2-dihydroazulen-1-ide
SMILESC1=CC=C2[CH-]CC=C2C=C1.[Li+]
InChIInChI=1S/C10H9.Li/c1-2-5-9-7-4-8-10(9)6-3-1;/h1-3,5-8H,4H2;/q-1;+1
InChIKeyOFMIGFFUMBHWIZ-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
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 1,2-dihydroazulen-1-ide?
The IUPAC name of lithium 1,2-dihydroazulen-1-ide (CID 164901543) is lithium 1,2-dihydroazulen-1-ide.
What is the SMILES notation for lithium 1,2-dihydroazulen-1-ide?
The canonical SMILES for lithium 1,2-dihydroazulen-1-ide is C1=CC=C2[CH-]CC=C2C=C1.[Li+].
What is the InChIKey of lithium 1,2-dihydroazulen-1-ide?
The InChIKey is OFMIGFFUMBHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.Li/c1-2-5-9-7-4-8-10(9)6-3-1;/h1-3,5-8H,4H2;/q-1;+1.
What are the key properties of lithium 1,2-dihydroazulen-1-ide?
lithium 1,2-dihydroazulen-1-ide has a molecular weight of 136.12 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2-dihydroazulen-1-ide is sourced from PubChem (CID 164901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).