lithium 2-methylcyclopenta-1,3-diene

C6H7Li — CID 23687705

IUPAClithium 2-methylcyclopenta-1,3-diene
SMILESCc1cc[cH-]c1.[Li+]
InChIInChI=1S/C6H7.Li/c1-6-4-2-3-5-6;/h2-5H,1H3;/q-1;+1
InChIKeyKPCHKRNAYPIRSD-UHFFFAOYSA-N
MW86.06 g/mol
LogP-1.28
Rot. Bonds

About lithium 2-methylcyclopenta-1,3-diene

lithium 2-methylcyclopenta-1,3-diene (PubChem CID 23687705) has the molecular formula C6H7Li and a molecular weight of 86.06 g/mol. Its IUPAC name is lithium 2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 2-methylcyclopenta-1,3-diene
PubChem CID23687705
Molecular FormulaC6H7Li
Molecular Weight86.06 g/mol
Exact Mass86.07
IUPAC Namelithium 2-methylcyclopenta-1,3-diene
SMILESCc1cc[cH-]c1.[Li+]
InChIInChI=1S/C6H7.Li/c1-6-4-2-3-5-6;/h2-5H,1H3;/q-1;+1
InChIKeyKPCHKRNAYPIRSD-UHFFFAOYSA-N
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.06
LogP ≤ 5-1.28
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 2-methylcyclopenta-1,3-diene?
The IUPAC name of lithium 2-methylcyclopenta-1,3-diene (CID 23687705) is lithium 2-methylcyclopenta-1,3-diene.
What is the SMILES notation for lithium 2-methylcyclopenta-1,3-diene?
The canonical SMILES for lithium 2-methylcyclopenta-1,3-diene is Cc1cc[cH-]c1.[Li+].
What is the InChIKey of lithium 2-methylcyclopenta-1,3-diene?
The InChIKey is KPCHKRNAYPIRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Li/c1-6-4-2-3-5-6;/h2-5H,1H3;/q-1;+1.
What are the key properties of lithium 2-methylcyclopenta-1,3-diene?
lithium 2-methylcyclopenta-1,3-diene has a molecular weight of 86.06 g/mol, XLogP of -1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 23687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).