2-(2,5-dioxopyrrol-1-yl)acetate

C6H4NO4- — CID 6990704

IUPAC2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C([O-])CN1C(=O)C=CC1=O
InChIInChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)/p-1
InChIKeyGBKPNGVKZQBPCZ-UHFFFAOYSA-M
MW154.10 g/mol
LogP-2.34
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)acetate

2-(2,5-dioxopyrrol-1-yl)acetate (PubChem CID 6990704) has the molecular formula C6H4NO4- and a molecular weight of 154.10 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)acetate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)acetate
PubChem CID6990704
Molecular FormulaC6H4NO4-
Molecular Weight154.10 g/mol
Exact Mass154.01
IUPAC Name2-(2,5-dioxopyrrol-1-yl)acetate
SMILESO=C([O-])CN1C(=O)C=CC1=O
InChIInChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)/p-1
InChIKeyGBKPNGVKZQBPCZ-UHFFFAOYSA-M
XLogP-2.34
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)acetate?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetate (CID 6990704) is 2-(2,5-dioxopyrrol-1-yl)acetate.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)acetate?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)acetate is O=C([O-])CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)acetate?
The InChIKey is GBKPNGVKZQBPCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)/p-1.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)acetate?
2-(2,5-dioxopyrrol-1-yl)acetate has a molecular weight of 154.10 g/mol, XLogP of -2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)acetate is sourced from PubChem (CID 6990704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).