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

C14H13NO4 — CID 764987

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H13NO4/c1-9(2)14(18)19-11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-6H,1,7-8H2,2H3
InChIKeyAQWKIUWJKKKNKI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.82
Rot. Bonds3

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

[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 764987) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate
PubChem CID764987
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H13NO4/c1-9(2)14(18)19-11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-6H,1,7-8H2,2H3
InChIKeyAQWKIUWJKKKNKI-UHFFFAOYSA-N
XLogP1.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate 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-methylprop-2-enoate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate (CID 764987) is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is AQWKIUWJKKKNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9(2)14(18)19-11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-6H,1,7-8H2,2H3.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate?
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 259.26 g/mol, XLogP of 1.82, 3 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-methylprop-2-enoate is sourced from PubChem (CID 764987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).