(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate

C8H11NO6 — CID 59130156

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO6/c1-13-4-5-14-8(12)15-9-6(10)2-3-7(9)11/h2-5H2,1H3
InChIKeyTWLRVFVQAWWAPO-UHFFFAOYSA-N
MW217.18 g/mol
LogP-0.15
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate (PubChem CID 59130156) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
PubChem CID59130156
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
SMILESCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H11NO6/c1-13-4-5-14-8(12)15-9-6(10)2-3-7(9)11/h2-5H2,1H3
InChIKeyTWLRVFVQAWWAPO-UHFFFAOYSA-N
XLogP-0.15
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate (CID 59130156) is (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate is COCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate?
The InChIKey is TWLRVFVQAWWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c1-13-4-5-14-8(12)15-9-6(10)2-3-7(9)11/h2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate has a molecular weight of 217.18 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate is sourced from PubChem (CID 59130156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).