(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate

C18H13NO5 — CID 2762595

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMVQNJLJLEGZFGP-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.14
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate

(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate (PubChem CID 2762595) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
PubChem CID2762595
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMVQNJLJLEGZFGP-UHFFFAOYSA-N
XLogP2.14
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate (CID 2762595) is (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate is O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate?
The InChIKey is MVQNJLJLEGZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate has a molecular weight of 323.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate is sourced from PubChem (CID 2762595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).