1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione

C18H8N2O6 — CID 5073800

IUPAC1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)C(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H8N2O6/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H
InChIKeyXOAKWUNSNRJLIW-UHFFFAOYSA-N
MW348.27 g/mol
LogP0.50
Rot. Bonds

About 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione

1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione (PubChem CID 5073800) has the molecular formula C18H8N2O6 and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione
PubChem CID5073800
Molecular FormulaC18H8N2O6
Molecular Weight348.27 g/mol
Exact Mass348.04
IUPAC Name1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)C(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H8N2O6/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H
InChIKeyXOAKWUNSNRJLIW-UHFFFAOYSA-N
XLogP0.50
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione (CID 5073800) is 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione is O=C1C(=O)N(C(=O)C(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione?
The InChIKey is XOAKWUNSNRJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N2O6/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H.
What are the key properties of 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione?
1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione has a molecular weight of 348.27 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dioxoindol-1-yl)-2-oxoacetyl]indole-2,3-dione is sourced from PubChem (CID 5073800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).