N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide

C9H9N3O5 — CID 175006917

IUPACN-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
SMILESO=C1CCC(=O)N1NC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H9N3O5/c13-5-1-2-6(14)11(5)9(17)10-12-7(15)3-4-8(12)16/h1-4H2,(H,10,17)
InChIKeyUBTDIZIFQBVRCW-UHFFFAOYSA-N
MW239.19 g/mol
LogP-1.09
Rot. Bonds1

About N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide

N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide (PubChem CID 175006917) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
PubChem CID175006917
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC NameN-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
SMILESO=C1CCC(=O)N1NC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H9N3O5/c13-5-1-2-6(14)11(5)9(17)10-12-7(15)3-4-8(12)16/h1-4H2,(H,10,17)
InChIKeyUBTDIZIFQBVRCW-UHFFFAOYSA-N
XLogP-1.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide (CID 175006917) is N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide is O=C1CCC(=O)N1NC(=O)N1C(=O)CCC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide?
The InChIKey is UBTDIZIFQBVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c13-5-1-2-6(14)11(5)9(17)10-12-7(15)3-4-8(12)16/h1-4H2,(H,10,17).
What are the key properties of N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide?
N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide has a molecular weight of 239.19 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide is sourced from PubChem (CID 175006917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).