N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide

C6H8N2O4 — CID 19711355

IUPACN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1CC(=O)N(O)C1=O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9)
InChIKeyOTKGBSPJCMROIF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.36
Rot. Bonds1

About N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide

N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide (PubChem CID 19711355) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide
PubChem CID19711355
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1CC(=O)N(O)C1=O
InChIInChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9)
InChIKeyOTKGBSPJCMROIF-UHFFFAOYSA-N
XLogP-1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide (CID 19711355) is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide is CC(=O)NC1CC(=O)N(O)C1=O.
What is the InChIKey of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide?
The InChIKey is OTKGBSPJCMROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-3(9)7-4-2-5(10)8(12)6(4)11/h4,12H,2H2,1H3,(H,7,9).
What are the key properties of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide?
N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide has a molecular weight of 172.14 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 19711355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).