(2,5-dioxopyrrolidin-3-yl) methyl carbonate

C6H7NO5 — CID 18009098

IUPAC(2,5-dioxopyrrolidin-3-yl) methyl carbonate
SMILESCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C6H7NO5/c1-11-6(10)12-3-2-4(8)7-5(3)9/h3H,2H2,1H3,(H,7,8,9)
InChIKeyKHYOYKLXGIPSRF-UHFFFAOYSA-N
MW173.12 g/mol
LogP-0.82
Rot. Bonds1

About (2,5-dioxopyrrolidin-3-yl) methyl carbonate

(2,5-dioxopyrrolidin-3-yl) methyl carbonate (PubChem CID 18009098) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) methyl carbonate
PubChem CID18009098
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(2,5-dioxopyrrolidin-3-yl) methyl carbonate
SMILESCOC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C6H7NO5/c1-11-6(10)12-3-2-4(8)7-5(3)9/h3H,2H2,1H3,(H,7,8,9)
InChIKeyKHYOYKLXGIPSRF-UHFFFAOYSA-N
XLogP-0.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-0.82
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-3-yl) methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) methyl carbonate (CID 18009098) is (2,5-dioxopyrrolidin-3-yl) methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) methyl carbonate is COC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) methyl carbonate?
The InChIKey is KHYOYKLXGIPSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c1-11-6(10)12-3-2-4(8)7-5(3)9/h3H,2H2,1H3,(H,7,8,9).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) methyl carbonate?
(2,5-dioxopyrrolidin-3-yl) methyl carbonate has a molecular weight of 173.12 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) methyl carbonate is sourced from PubChem (CID 18009098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).