1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

C8H6N2O4 — CID 18962863

IUPAC1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-2H,3-4H2
InChIKeyQGOLMBJWLXBCMZ-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.02
Rot. Bonds1

About 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (PubChem CID 18962863) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
PubChem CID18962863
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1N1C(=O)CCC1=O
InChIInChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-2H,3-4H2
InChIKeyQGOLMBJWLXBCMZ-UHFFFAOYSA-N
XLogP-1.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromo-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 67017967
Acetic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 69079401
1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione;propanoic acid
CID 71114953
1-(2,5-Dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
CID 126595994
3-Methyl-1-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 141710448
1-(2-Oxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 151617337
1-Acetylpyrrole-2,5-dione;oxocobalt;pyrrolidin-1-ide-2,5-dione
CID 173547332
Oxocobalt;1-(oxomethyl)pyrrole-2,5-dione;pyrrolidin-1-ide-2,5-dione
CID 173596127
1-[(2,5-Dioxopyrrolidin-1-yl)amino]pyrrole-2,5-dione
CID 174449581
N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide
CID 175006672
N-(2,5-dioxopyrrolidin-1-yl)-N-(2,5-dioxopyrrol-1-yl)propanamide
CID 175692903

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (CID 18962863) is 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1N1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The InChIKey is QGOLMBJWLXBCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-5-1-2-6(12)9(5)10-7(13)3-4-8(10)14/h1-2H,3-4H2.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione has a molecular weight of 194.15 g/mol, XLogP of -1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 18962863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).