(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate

C12H10N2O9 — CID 78323013

IUPAC(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C(CN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O9/c15-7-1-2-8(16)13(7)5-11(19)21-6-22-12(20)23-14-9(17)3-4-10(14)18/h1-2H,3-6H2
InChIKeyDZAZUAYGAYRSNE-UHFFFAOYSA-N
MW326.22 g/mol
LogP-1.37
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate

(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate (PubChem CID 78323013) has the molecular formula C12H10N2O9 and a molecular weight of 326.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate
PubChem CID78323013
Molecular FormulaC12H10N2O9
Molecular Weight326.22 g/mol
Exact Mass326.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C(CN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O9/c15-7-1-2-8(16)13(7)5-11(19)21-6-22-12(20)23-14-9(17)3-4-10(14)18/h1-2H,3-6H2
InChIKeyDZAZUAYGAYRSNE-UHFFFAOYSA-N
XLogP-1.37
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate (CID 78323013) is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate is O=C(CN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The InChIKey is DZAZUAYGAYRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O9/c15-7-1-2-8(16)13(7)5-11(19)21-6-22-12(20)23-14-9(17)3-4-10(14)18/h1-2H,3-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate has a molecular weight of 326.22 g/mol, XLogP of -1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 2-(2,5-dioxopyrrol-1-yl)acetate is sourced from PubChem (CID 78323013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).