2-(2,5-dioxopyrrol-1-yl)ethyl propanoate

C9H11NO4 — CID 58288592

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl propanoate
SMILESCCC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h3-4H,2,5-6H2,1H3
InChIKeyQREJQBFQTZRRJZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.14
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate

2-(2,5-dioxopyrrol-1-yl)ethyl propanoate (PubChem CID 58288592) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl propanoate
PubChem CID58288592
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl propanoate
SMILESCCC(=O)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h3-4H,2,5-6H2,1H3
InChIKeyQREJQBFQTZRRJZ-UHFFFAOYSA-N
XLogP-0.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate 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 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate (CID 58288592) is 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate is CCC(=O)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate?
The InChIKey is QREJQBFQTZRRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate?
2-(2,5-dioxopyrrol-1-yl)ethyl propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl propanoate is sourced from PubChem (CID 58288592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).