3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione

C10H8N2O4 — CID 22721433

IUPAC3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C10H8N2O4/c13-7-3-5(9(15)11-7)1-2-6-4-8(14)12-10(6)16/h3-4H,1-2H2,(H,11,13,15)(H,12,14,16)
InChIKeyWIGKKBZBLVSJLN-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.07
Rot. Bonds3

About 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione

3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione (PubChem CID 22721433) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione
PubChem CID22721433
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C10H8N2O4/c13-7-3-5(9(15)11-7)1-2-6-4-8(14)12-10(6)16/h3-4H,1-2H2,(H,11,13,15)(H,12,14,16)
InChIKeyWIGKKBZBLVSJLN-UHFFFAOYSA-N
XLogP-1.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione (CID 22721433) is 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione is O=C1C=C(CCC2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione?
The InChIKey is WIGKKBZBLVSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-7-3-5(9(15)11-7)1-2-6-4-8(14)12-10(6)16/h3-4H,1-2H2,(H,11,13,15)(H,12,14,16).
What are the key properties of 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione?
3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 220.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxopyrrol-3-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 22721433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).