3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione

C9H8N2O5 — CID 146327361

IUPAC3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CC(C(=O)C2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C9H8N2O5/c12-5-1-3(8(15)10-5)7(14)4-2-6(13)11-9(4)16/h3-4H,1-2H2,(H,10,12,15)(H,11,13,16)
InChIKeyJHUDMWXKRSUNBS-UHFFFAOYSA-N
MW224.17 g/mol
LogP-2.12
Rot. Bonds2

About 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione

3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione (PubChem CID 146327361) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
PubChem CID146327361
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
SMILESO=C1CC(C(=O)C2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C9H8N2O5/c12-5-1-3(8(15)10-5)7(14)4-2-6(13)11-9(4)16/h3-4H,1-2H2,(H,10,12,15)(H,11,13,16)
InChIKeyJHUDMWXKRSUNBS-UHFFFAOYSA-N
XLogP-2.12
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
3-benzoylpyrrolidine-2,5-dione
CID 15178182
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
CID 66653042
CID 66653042
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
ethyl (Z)-3-amino-2-[(3R)-2,5-dioxopyrrolidin-3-yl]but-2-enoate
CID 98501114
2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate
CID 18422442
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione (CID 146327361) is 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione is O=C1CC(C(=O)C2CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione?
The InChIKey is JHUDMWXKRSUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c12-5-1-3(8(15)10-5)7(14)4-2-6(13)11-9(4)16/h3-4H,1-2H2,(H,10,12,15)(H,11,13,16).
What are the key properties of 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione?
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione has a molecular weight of 224.17 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 146327361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).