(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane

C9H13NO6 — CID 142807092

IUPAC(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane
SMILESC1CCOC1.O=C(O)ON1C(=O)CCC1=O
InChIInChI=1S/C5H5NO5.C4H8O/c7-3-1-2-4(8)6(3)11-5(9)10;1-2-4-5-3-1/h1-2H2,(H,9,10);1-4H2
InChIKeyVXGFQWAZNYFXJJ-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.54
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane

(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane (PubChem CID 142807092) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane
PubChem CID142807092
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane
SMILESC1CCOC1.O=C(O)ON1C(=O)CCC1=O
InChIInChI=1S/C5H5NO5.C4H8O/c7-3-1-2-4(8)6(3)11-5(9)10;1-2-4-5-3-1/h1-2H2,(H,9,10);1-4H2
InChIKeyVXGFQWAZNYFXJJ-UHFFFAOYSA-N
XLogP0.54
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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) hydrogen carbonate;oxolane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane (CID 142807092) is (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane is C1CCOC1.O=C(O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane?
The InChIKey is VXGFQWAZNYFXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO5.C4H8O/c7-3-1-2-4(8)6(3)11-5(9)10;1-2-4-5-3-1/h1-2H2,(H,9,10);1-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane?
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane has a molecular weight of 231.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane is sourced from PubChem (CID 142807092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).