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

C8H8N2O3 — CID 151617337

IUPAC1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1CCCN1N1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O3/c11-6-2-1-5-9(6)10-7(12)3-4-8(10)13/h3-4H,1-2,5H2
InChIKeyQNUFJWQMEHEEGD-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.55
Rot. Bonds1

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

1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione (PubChem CID 151617337) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione
PubChem CID151617337
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1CCCN1N1C(=O)C=CC1=O
InChIInChI=1S/C8H8N2O3/c11-6-2-1-5-9(6)10-7(12)3-4-8(10)13/h3-4H,1-2,5H2
InChIKeyQNUFJWQMEHEEGD-UHFFFAOYSA-N
XLogP-0.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidin-2-one, N-crotonoyl-
CID 5365844
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 162745275
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
N-(beta-maleimidopropionyl)succinimide
CID 129758333
1-But-2-enoylpyrrolidin-2-one
CID 549610
1-(2,5-Dioxopyrrolidin-1-yl)pyrrole-2,5-dione
CID 18962863
1-(3-Oxo-3-pyrrolidin-1-ylpropyl)pyrrole-2,5-dione
CID 115586376
1-(4-Oxo-4-pyrrolidin-1-ylbutyl)pyrrole-2,5-dione
CID 121327382
1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one
CID 143349517
1-Methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione
CID 145674540
1-Ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione
CID 159762299
1-Ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 161206653

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione (CID 151617337) is 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione is O=C1CCCN1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione?
The InChIKey is QNUFJWQMEHEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-6-2-1-5-9(6)10-7(12)3-4-8(10)13/h3-4H,1-2,5H2.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione?
1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione has a molecular weight of 180.16 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 151617337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).