2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate

C8H9NO7 — CID 175504057

IUPAC2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
SMILESO=C(OCCO)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO7/c10-3-4-15-7(13)8(14)16-9-5(11)1-2-6(9)12/h10H,1-4H2
InChIKeyGSOOLVHIASVEEH-UHFFFAOYSA-N
MW231.16 g/mol
LogP-1.87
Rot. Bonds3

About 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate

2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate (PubChem CID 175504057) has the molecular formula C8H9NO7 and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate.

Molecular Properties

Compound Name2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
PubChem CID175504057
Molecular FormulaC8H9NO7
Molecular Weight231.16 g/mol
Exact Mass231.04
IUPAC Name2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate
SMILESO=C(OCCO)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H9NO7/c10-3-4-15-7(13)8(14)16-9-5(11)1-2-6(9)12/h10H,1-4H2
InChIKeyGSOOLVHIASVEEH-UHFFFAOYSA-N
XLogP-1.87
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
1-O-(2-hydroxyethyl) 6-O-(2-oxo-5-sulfanylidenepyrrolidin-1-yl) hexanedioate
CID 87744435
(2,5-dioxopyrrolidin-1-yl) (3R)-3-amino-2-oxo-4-sulfanylbutanoate
CID 88857919
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
bis(2,5-dioxopyrrolidin-1-yl) 2-methylidenepentanedioate
CID 10131928
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590

Frequently Asked Questions

What is the IUPAC name of 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate?
The IUPAC name of 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate (CID 175504057) is 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate.
What is the SMILES notation for 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate?
The canonical SMILES for 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate is O=C(OCCO)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate?
The InChIKey is GSOOLVHIASVEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO7/c10-3-4-15-7(13)8(14)16-9-5(11)1-2-6(9)12/h10H,1-4H2.
What are the key properties of 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate?
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate has a molecular weight of 231.16 g/mol, XLogP of -1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) oxalate is sourced from PubChem (CID 175504057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).