1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione

C10H10N2O4 — CID 162745275

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1C(=O)CCC1=O
InChIInChI=1S/C10H10N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-2H,3-6H2
InChIKeyBZOXKDJEAVQVOO-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.94
Rot. Bonds3

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

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione (PubChem CID 162745275) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
PubChem CID162745275
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCN1C(=O)CCC1=O
InChIInChI=1S/C10H10N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-2H,3-6H2
InChIKeyBZOXKDJEAVQVOO-UHFFFAOYSA-N
XLogP-0.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione (CID 162745275) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione?
The InChIKey is BZOXKDJEAVQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-2H,3-6H2.
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 222.20 g/mol, XLogP of -0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 162745275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).