lithium isoindole-1,3-dione

C8H5LiNO2+ — CID 18764300

IUPAClithium isoindole-1,3-dione
SMILESO=C1NC(=O)c2ccccc21.[Li+]
InChIInChI=1S/C8H5NO2.Li/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1
InChIKeyVXNVNGCOOZWFJK-UHFFFAOYSA-N
MW154.07 g/mol
LogP-2.43
Rot. Bonds

About lithium isoindole-1,3-dione

lithium isoindole-1,3-dione (PubChem CID 18764300) has the molecular formula C8H5LiNO2+ and a molecular weight of 154.07 g/mol. Its IUPAC name is lithium isoindole-1,3-dione.

Molecular Properties

Compound Namelithium isoindole-1,3-dione
PubChem CID18764300
Molecular FormulaC8H5LiNO2+
Molecular Weight154.07 g/mol
Exact Mass154.05
IUPAC Namelithium isoindole-1,3-dione
SMILESO=C1NC(=O)c2ccccc21.[Li+]
InChIInChI=1S/C8H5NO2.Li/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1
InChIKeyVXNVNGCOOZWFJK-UHFFFAOYSA-N
XLogP-2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
CID 157233017
CID 157233017
bromomethane;isoindole-1,3-dione
CID 158684384
CID 175168561
CID 175168561
dichloromethane;isoindole-1,3-dione
CID 159399465
chloroform;isoindole-1,3-dione
CID 157323823
isoindole-1,3-dione;naphthalene-1,4-dione
CID 70478975
isoindole-1,3-dione;phenol
CID 157178846
isoindole-1,3-dione;1,3,5-triazine-2,4,6-triamine
CID 23338132

Frequently Asked Questions

What is the IUPAC name of lithium isoindole-1,3-dione?
The IUPAC name of lithium isoindole-1,3-dione (CID 18764300) is lithium isoindole-1,3-dione.
What is the SMILES notation for lithium isoindole-1,3-dione?
The canonical SMILES for lithium isoindole-1,3-dione is O=C1NC(=O)c2ccccc21.[Li+].
What is the InChIKey of lithium isoindole-1,3-dione?
The InChIKey is VXNVNGCOOZWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.Li/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1.
What are the key properties of lithium isoindole-1,3-dione?
lithium isoindole-1,3-dione has a molecular weight of 154.07 g/mol, XLogP of -2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium isoindole-1,3-dione is sourced from PubChem (CID 18764300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).