(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate

C19H13NO4 — CID 58352511

IUPAC(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H13NO4/c21-17-7-8-18(22)20(17)24-19(23)15-6-5-14-9-12-3-1-2-4-13(12)10-16(14)11-15/h1-6,9-11H,7-8H2
InChIKeyGYXTYABGCDRZJA-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.21
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate (PubChem CID 58352511) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate
PubChem CID58352511
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H13NO4/c21-17-7-8-18(22)20(17)24-19(23)15-6-5-14-9-12-3-1-2-4-13(12)10-16(14)11-15/h1-6,9-11H,7-8H2
InChIKeyGYXTYABGCDRZJA-UHFFFAOYSA-N
XLogP3.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate (CID 58352511) is (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate?
The InChIKey is GYXTYABGCDRZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-17-7-8-18(22)20(17)24-19(23)15-6-5-14-9-12-3-1-2-4-13(12)10-16(14)11-15/h1-6,9-11H,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) anthracene-2-carboxylate is sourced from PubChem (CID 58352511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).