sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate

C7H8NNaO5 — CID 172567190

IUPACsodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate
SMILESO=C([O-])OCCN1C(=O)CCC1=O.[Na+]
InChIInChI=1S/C7H9NO5.Na/c9-5-1-2-6(10)8(5)3-4-13-7(11)12;/h1-4H2,(H,11,12);/q;+1/p-1
InChIKeyPHGQEQWEMYDSAD-UHFFFAOYSA-M
MW209.13 g/mol
LogP-4.50
Rot. Bonds3

About sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate

sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate (PubChem CID 172567190) has the molecular formula C7H8NNaO5 and a molecular weight of 209.13 g/mol. Its IUPAC name is sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate.

Molecular Properties

Compound Namesodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate
PubChem CID172567190
Molecular FormulaC7H8NNaO5
Molecular Weight209.13 g/mol
Exact Mass209.03
IUPAC Namesodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate
SMILESO=C([O-])OCCN1C(=O)CCC1=O.[Na+]
InChIInChI=1S/C7H9NO5.Na/c9-5-1-2-6(10)8(5)3-4-13-7(11)12;/h1-4H2,(H,11,12);/q;+1/p-1
InChIKeyPHGQEQWEMYDSAD-UHFFFAOYSA-M
XLogP-4.50
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
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 sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate?
The IUPAC name of sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate (CID 172567190) is sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate.
What is the SMILES notation for sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate?
The canonical SMILES for sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate is O=C([O-])OCCN1C(=O)CCC1=O.[Na+].
What is the InChIKey of sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate?
The InChIKey is PHGQEQWEMYDSAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO5.Na/c9-5-1-2-6(10)8(5)3-4-13-7(11)12;/h1-4H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate?
sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate has a molecular weight of 209.13 g/mol, XLogP of -4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,5-dioxopyrrolidin-1-yl)ethyl carbonate is sourced from PubChem (CID 172567190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).