[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate

C15H15NO4 — CID 6389384

IUPAC[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate
SMILESCC/C=C1/CC(=O)N(c2ccc(OC(C)=O)cc2)C1=O
InChIInChI=1S/C15H15NO4/c1-3-4-11-9-14(18)16(15(11)19)12-5-7-13(8-6-12)20-10(2)17/h4-8H,3,9H2,1-2H3/b11-4-
InChIKeyBATKZCCFTDZYTF-WCIBSUBMSA-N
MW273.29 g/mol
LogP2.21
Rot. Bonds3

About [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate

[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate (PubChem CID 6389384) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate
PubChem CID6389384
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate
SMILESCC/C=C1/CC(=O)N(c2ccc(OC(C)=O)cc2)C1=O
InChIInChI=1S/C15H15NO4/c1-3-4-11-9-14(18)16(15(11)19)12-5-7-13(8-6-12)20-10(2)17/h4-8H,3,9H2,1-2H3/b11-4-
InChIKeyBATKZCCFTDZYTF-WCIBSUBMSA-N
XLogP2.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.21
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-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate 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-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate?
The IUPAC name of [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate (CID 6389384) is [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate.
What is the SMILES notation for [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate?
The canonical SMILES for [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate is CC/C=C1/CC(=O)N(c2ccc(OC(C)=O)cc2)C1=O.
What is the InChIKey of [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate?
The InChIKey is BATKZCCFTDZYTF-WCIBSUBMSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-4-11-9-14(18)16(15(11)19)12-5-7-13(8-6-12)20-10(2)17/h4-8H,3,9H2,1-2H3/b11-4-.
What are the key properties of [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate?
[4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate has a molecular weight of 273.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3Z)-2,5-dioxo-3-propylidenepyrrolidin-1-yl]phenyl] acetate is sourced from PubChem (CID 6389384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).