(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate

C18H8N2O7 — CID 86623508

IUPAC(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
SMILESO=C1C(=O)N(C(=O)OC(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H8N2O7/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)27-18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H
InChIKeyMZLKHPDPHGHSOY-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.70
Rot. Bonds

About (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate

(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate (PubChem CID 86623508) has the molecular formula C18H8N2O7 and a molecular weight of 364.27 g/mol. Its IUPAC name is (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate.

Molecular Properties

Compound Name(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
PubChem CID86623508
Molecular FormulaC18H8N2O7
Molecular Weight364.27 g/mol
Exact Mass364.03
IUPAC Name(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
SMILESO=C1C(=O)N(C(=O)OC(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H8N2O7/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)27-18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H
InChIKeyMZLKHPDPHGHSOY-UHFFFAOYSA-N
XLogP1.70
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate?
The IUPAC name of (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate (CID 86623508) is (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate.
What is the SMILES notation for (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate?
The canonical SMILES for (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate is O=C1C(=O)N(C(=O)OC(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate?
The InChIKey is MZLKHPDPHGHSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N2O7/c21-13-9-5-1-3-7-11(9)19(15(13)23)17(25)27-18(26)20-12-8-4-2-6-10(12)14(22)16(20)24/h1-8H.
What are the key properties of (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate?
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate has a molecular weight of 364.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate is sourced from PubChem (CID 86623508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).