1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione

C8H8N2O4 — CID 3053136

IUPAC1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CCC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h4H,1-3H2,(H,9,11,14)
InChIKeyFJUZJOJINPUTGC-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.45
Rot. Bonds1

About 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione

1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione (PubChem CID 3053136) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione
PubChem CID3053136
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CCC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h4H,1-3H2,(H,9,11,14)
InChIKeyFJUZJOJINPUTGC-UHFFFAOYSA-N
XLogP-1.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)pyrrolidine-2,5-dione
CID 12550570
3-[2-[(2,5-Dioxopyrrolidin-3-yl)-methylamino]ethyl-methylamino]pyrrolidine-2,5-dione
CID 166636038
(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanamide
CID 11229192
H-Pyr-Asn-Pro-NH2
CID 9905902
3-(Pyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 23170957
3-Amino-4-oxo-4-pyrrolidin-1-yl-butyramide
CID 9855673
N-[(3S)-1-(2-amino-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 44322221
2,5-Pyrrolidinedione, 3-acetylamino-
CID 21399364
5-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)imidazolidine-2,4-dione
CID 16227499
1-Methyl-3-(propylamino)pyrrolidine-2,5-dione
CID 43635902
1-(Propan-2-yl)-3-(propylamino)pyrrolidine-2,5-dione
CID 43636065
N-(2,5-Dioxo-1-propyl-pyrrolidin-3-YL)acetamide
CID 335887

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione (CID 3053136) is 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione is O=C1CC(N2C(=O)CCC2=O)C(=O)N1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is FJUZJOJINPUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h4H,1-3H2,(H,9,11,14).
What are the key properties of 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione?
1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 196.16 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3053136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).