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

C6H6N2O3 — CID 18534489

IUPAC2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C6H6N2O3/c7-4(9)3-8-5(10)1-2-6(8)11/h1-2H,3H2,(H2,7,9)
InChIKeyOCFCFNRUPPYUGB-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.60
Rot. Bonds2

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

2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 18534489) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID18534489
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C6H6N2O3/c7-4(9)3-8-5(10)1-2-6(8)11/h1-2H,3H2,(H2,7,9)
InChIKeyOCFCFNRUPPYUGB-UHFFFAOYSA-N
XLogP-1.60
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)acetamide (CID 18534489) is 2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)acetamide is NC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is OCFCFNRUPPYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-4(9)3-8-5(10)1-2-6(8)11/h1-2H,3H2,(H2,7,9).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)acetamide?
2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 154.12 g/mol, XLogP of -1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 18534489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).