1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione

C9H9N3O5 — CID 137437928

IUPAC1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione
SMILESCNC1CC(=O)N(ON2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C9H9N3O5/c1-10-5-4-8(15)12(9(5)16)17-11-6(13)2-3-7(11)14/h2-3,5,10H,4H2,1H3
InChIKeyMXUYPUMMOLUNBS-UHFFFAOYSA-N
MW239.19 g/mol
LogP-1.90
Rot. Bonds3

About 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione

1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione (PubChem CID 137437928) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione
PubChem CID137437928
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione
SMILESCNC1CC(=O)N(ON2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C9H9N3O5/c1-10-5-4-8(15)12(9(5)16)17-11-6(13)2-3-7(11)14/h2-3,5,10H,4H2,1H3
InChIKeyMXUYPUMMOLUNBS-UHFFFAOYSA-N
XLogP-1.90
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione?
The IUPAC name of 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione (CID 137437928) is 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione?
The canonical SMILES for 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione is CNC1CC(=O)N(ON2C(=O)C=CC2=O)C1=O.
What is the InChIKey of 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione?
The InChIKey is MXUYPUMMOLUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c1-10-5-4-8(15)12(9(5)16)17-11-6(13)2-3-7(11)14/h2-3,5,10H,4H2,1H3.
What are the key properties of 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione?
1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione has a molecular weight of 239.19 g/mol, XLogP of -1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]oxypyrrole-2,5-dione is sourced from PubChem (CID 137437928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).