2-(2,5-dioxopyrrolidin-3-ylidene)acetamide

C6H6N2O3 — CID 67572429

IUPAC2-(2,5-dioxopyrrolidin-3-ylidene)acetamide
SMILESNC(=O)C=C1CC(=O)NC1=O
InChIInChI=1S/C6H6N2O3/c7-4(9)1-3-2-5(10)8-6(3)11/h1H,2H2,(H2,7,9)(H,8,10,11)
InChIKeyICANSZLRJSSZPS-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.56
Rot. Bonds1

About 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide

2-(2,5-dioxopyrrolidin-3-ylidene)acetamide (PubChem CID 67572429) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-3-ylidene)acetamide
PubChem CID67572429
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-(2,5-dioxopyrrolidin-3-ylidene)acetamide
SMILESNC(=O)C=C1CC(=O)NC1=O
InChIInChI=1S/C6H6N2O3/c7-4(9)1-3-2-5(10)8-6(3)11/h1H,2H2,(H2,7,9)(H,8,10,11)
InChIKeyICANSZLRJSSZPS-UHFFFAOYSA-N
XLogP-1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide (CID 67572429) is 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide is NC(=O)C=C1CC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide?
The InChIKey is ICANSZLRJSSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-4(9)1-3-2-5(10)8-6(3)11/h1H,2H2,(H2,7,9)(H,8,10,11).
What are the key properties of 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide?
2-(2,5-dioxopyrrolidin-3-ylidene)acetamide has a molecular weight of 154.12 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-3-ylidene)acetamide is sourced from PubChem (CID 67572429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).