dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate

C14H6Li2N2O8 — CID 132565666

IUPACdilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate
SMILESO=C([O-])Cn1c(=O)c2cc3c(=O)n(CC(=O)[O-])c(=O)c3cc2c1=O.[Li+].[Li+]
InChIInChI=1S/C14H8N2O8.2Li/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20;;/h1-2H,3-4H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
InChIKeyDBCLOMDIKNVKHD-UHFFFAOYSA-L
MW344.09 g/mol
LogP-10.58
Rot. Bonds4

About dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate

dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate (PubChem CID 132565666) has the molecular formula C14H6Li2N2O8 and a molecular weight of 344.09 g/mol. Its IUPAC name is dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate.

Molecular Properties

Compound Namedilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate
PubChem CID132565666
Molecular FormulaC14H6Li2N2O8
Molecular Weight344.09 g/mol
Exact Mass344.04
IUPAC Namedilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate
SMILESO=C([O-])Cn1c(=O)c2cc3c(=O)n(CC(=O)[O-])c(=O)c3cc2c1=O.[Li+].[Li+]
InChIInChI=1S/C14H8N2O8.2Li/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20;;/h1-2H,3-4H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
InChIKeyDBCLOMDIKNVKHD-UHFFFAOYSA-L
XLogP-10.58
TPSA158.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.09
LogP ≤ 5-10.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate?
The IUPAC name of dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate (CID 132565666) is dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate.
What is the SMILES notation for dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate?
The canonical SMILES for dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate is O=C([O-])Cn1c(=O)c2cc3c(=O)n(CC(=O)[O-])c(=O)c3cc2c1=O.[Li+].[Li+].
What is the InChIKey of dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate?
The InChIKey is DBCLOMDIKNVKHD-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H8N2O8.2Li/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20;;/h1-2H,3-4H2,(H,17,18)(H,19,20);;/q;2*+1/p-2.
What are the key properties of dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate?
dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate has a molecular weight of 344.09 g/mol, XLogP of -10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-[2-(carboxylatomethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetate is sourced from PubChem (CID 132565666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).