CID 13030526

C7H7Li — CID 13030526

IUPAC—
SMILES[C-]1=CC2C=CC1C2.[Li+]
InChIInChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1
InChIKeyDYJCMNFHDMJHGZ-UHFFFAOYSA-N
MW98.07 g/mol
LogP-1.44
Rot. Bonds

About CID 13030526

CID 13030526 (PubChem CID 13030526) has the molecular formula C7H7Li and a molecular weight of 98.07 g/mol.

Molecular Properties

Compound NameCID 13030526
PubChem CID13030526
Molecular FormulaC7H7Li
Molecular Weight98.07 g/mol
Exact Mass98.07
IUPAC Name—
SMILES[C-]1=CC2C=CC1C2.[Li+]
InChIInChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1
InChIKeyDYJCMNFHDMJHGZ-UHFFFAOYSA-N
XLogP-1.44
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 ≤ 5-1.44
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 CID 13030526?
The IUPAC name of CID 13030526 (CID 13030526) is not available.
What is the SMILES notation for CID 13030526?
The canonical SMILES for CID 13030526 is [C-]1=CC2C=CC1C2.[Li+].
What is the InChIKey of CID 13030526?
The InChIKey is DYJCMNFHDMJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Li/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1.
What are the key properties of CID 13030526?
CID 13030526 has a molecular weight of 98.07 g/mol, XLogP of -1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13030526 is sourced from PubChem (CID 13030526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).