lithium cyclopenta-1,3-diene

C5H5Li — CID 14063469

IUPAClithium cyclopenta-1,3-diene
SMILES[C-]1=CC=CC1.[Li+]
InChIInChI=1S/C5H5.Li/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1
InChIKeyCSOHRTAOCDVTQU-UHFFFAOYSA-N
MW72.04 g/mol
LogP-1.69
Rot. Bonds

About lithium cyclopenta-1,3-diene

lithium cyclopenta-1,3-diene (PubChem CID 14063469) has the molecular formula C5H5Li and a molecular weight of 72.04 g/mol. Its IUPAC name is lithium cyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium cyclopenta-1,3-diene
PubChem CID14063469
Molecular FormulaC5H5Li
Molecular Weight72.04 g/mol
Exact Mass72.06
IUPAC Namelithium cyclopenta-1,3-diene
SMILES[C-]1=CC=CC1.[Li+]
InChIInChI=1S/C5H5.Li/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1
InChIKeyCSOHRTAOCDVTQU-UHFFFAOYSA-N
XLogP-1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.04
LogP ≤ 5-1.69
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 cyclopenta-1,3-diene?
The IUPAC name of lithium cyclopenta-1,3-diene (CID 14063469) is lithium cyclopenta-1,3-diene.
What is the SMILES notation for lithium cyclopenta-1,3-diene?
The canonical SMILES for lithium cyclopenta-1,3-diene is [C-]1=CC=CC1.[Li+].
What is the InChIKey of lithium cyclopenta-1,3-diene?
The InChIKey is CSOHRTAOCDVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.Li/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1.
What are the key properties of lithium cyclopenta-1,3-diene?
lithium cyclopenta-1,3-diene has a molecular weight of 72.04 g/mol, XLogP of -1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopenta-1,3-diene is sourced from PubChem (CID 14063469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).