(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione

C12H16N2O8 — CID 138557086

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione
SMILESCC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1.OCCO
InChIInChI=1S/C6H7NO4.C4H3NO2.C2H6O2/c1-4(8)11-7-5(9)2-3-6(7)10;6-3-1-2-4(7)5-3;3-1-2-4/h2-3H2,1H3;1-2H,(H,5,6,7);3-4H,1-2H2
InChIKeyKRWXKLVWQWYWBZ-UHFFFAOYSA-N
MW316.27 g/mol
LogP-2.22
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione (PubChem CID 138557086) has the molecular formula C12H16N2O8 and a molecular weight of 316.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione
PubChem CID138557086
Molecular FormulaC12H16N2O8
Molecular Weight316.27 g/mol
Exact Mass316.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione
SMILESCC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1.OCCO
InChIInChI=1S/C6H7NO4.C4H3NO2.C2H6O2/c1-4(8)11-7-5(9)2-3-6(7)10;6-3-1-2-4(7)5-3;3-1-2-4/h2-3H2,1H3;1-2H,(H,5,6,7);3-4H,1-2H2
InChIKeyKRWXKLVWQWYWBZ-UHFFFAOYSA-N
XLogP-2.22
TPSA150.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione (CID 138557086) is (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione is CC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1.OCCO.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione?
The InChIKey is KRWXKLVWQWYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.C4H3NO2.C2H6O2/c1-4(8)11-7-5(9)2-3-6(7)10;6-3-1-2-4(7)5-3;3-1-2-4/h2-3H2,1H3;1-2H,(H,5,6,7);3-4H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione has a molecular weight of 316.27 g/mol, XLogP of -2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) acetate;ethane-1,2-diol;pyrrole-2,5-dione is sourced from PubChem (CID 138557086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).