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

C14H14N2O9 — CID 90373312

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c1-2-13(23-12(21)7-15-8(17)3-4-9(15)18)24-14(22)25-16-10(19)5-6-11(16)20/h3-4,13H,2,5-7H2,1H3
InChIKeyCQDSYYHCRQLEGN-UHFFFAOYSA-N
MW354.27 g/mol
LogP-0.59
Rot. Bonds6

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

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate (PubChem CID 90373312) has the molecular formula C14H14N2O9 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate
PubChem CID90373312
Molecular FormulaC14H14N2O9
Molecular Weight354.27 g/mol
Exact Mass354.07
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c1-2-13(23-12(21)7-15-8(17)3-4-9(15)18)24-14(22)25-16-10(19)5-6-11(16)20/h3-4,13H,2,5-7H2,1H3
InChIKeyCQDSYYHCRQLEGN-UHFFFAOYSA-N
XLogP-0.59
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 5-0.59
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 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate (CID 90373312) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate is CCC(OC(=O)CN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The InChIKey is CQDSYYHCRQLEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O9/c1-2-13(23-12(21)7-15-8(17)3-4-9(15)18)24-14(22)25-16-10(19)5-6-11(16)20/h3-4,13H,2,5-7H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate has a molecular weight of 354.27 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-(2,5-dioxopyrrol-1-yl)acetate is sourced from PubChem (CID 90373312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).