2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide

C6H10N2O4 — CID 118704578

IUPAC2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide
SMILESNC(=O)CN1CC(OO)CC1=O
InChIInChI=1S/C6H10N2O4/c7-5(9)3-8-2-4(12-11)1-6(8)10/h4,11H,1-3H2,(H2,7,9)
InChIKeyFOFPBSAVHBTASA-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.44
Rot. Bonds3

About 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide

2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 118704578) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide
PubChem CID118704578
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide
SMILESNC(=O)CN1CC(OO)CC1=O
InChIInChI=1S/C6H10N2O4/c7-5(9)3-8-2-4(12-11)1-6(8)10/h4,11H,1-3H2,(H2,7,9)
InChIKeyFOFPBSAVHBTASA-UHFFFAOYSA-N
XLogP-1.44
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide (CID 118704578) is 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide is NC(=O)CN1CC(OO)CC1=O.
What is the InChIKey of 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is FOFPBSAVHBTASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-5(9)3-8-2-4(12-11)1-6(8)10/h4,11H,1-3H2,(H2,7,9).
What are the key properties of 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide?
2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 174.16 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 118704578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).