3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

Name: 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆N₄O₅ — CID 121159717

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

SMILESO=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1

InChIInChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22)

InChIKeyKHCGMLYIGFYHFL-UHFFFAOYSA-N

MW308.29 g/mol

LogP-1.71

Rot. Bonds3

About 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159717) has the molecular formula C₁₃H₁₆N₄O₅ and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID	121159717
Molecular Formula	C₁₃H₁₆N₄O₅
Molecular Weight	308.29 g/mol
Exact Mass	308.11
IUPAC Name	3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILES	O=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1
InChI	InChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22)
InChIKey	KHCGMLYIGFYHFL-UHFFFAOYSA-N
XLogP	-1.71
TPSA	107.10 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.29
LogP ≤ 5	-1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?

The IUPAC name of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159717) is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1.

What is the InChIKey of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?

The InChIKey is KHCGMLYIGFYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22).

What are the key properties of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?

3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 308.29 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121159717 — identifiers, structure, computed properties (public domain)

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