[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate

C18H15NO4 — CID 804401

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-6-8-15(9-7-14)23-18(22)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyBIPLWCAKTLFCMB-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.49
Rot. Bonds4

About [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate

[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate (PubChem CID 804401) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
PubChem CID804401
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-6-8-15(9-7-14)23-18(22)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyBIPLWCAKTLFCMB-UHFFFAOYSA-N
XLogP2.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate 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 [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate (CID 804401) is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
The InChIKey is BIPLWCAKTLFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)14-6-8-15(9-7-14)23-18(22)12-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate?
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate has a molecular weight of 309.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-phenylacetate is sourced from PubChem (CID 804401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).