5-hydroperoxy-1-methylpyrrolidin-2-one

C5H9NO3 — CID 11083917

IUPAC5-hydroperoxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1OO
InChIInChI=1S/C5H9NO3/c1-6-4(7)2-3-5(6)9-8/h5,8H,2-3H2,1H3
InChIKeyCHJQAEDTCYTGBP-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.05
Rot. Bonds1

About 5-hydroperoxy-1-methylpyrrolidin-2-one

5-hydroperoxy-1-methylpyrrolidin-2-one (PubChem CID 11083917) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5-hydroperoxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroperoxy-1-methylpyrrolidin-2-one
PubChem CID11083917
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5-hydroperoxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1OO
InChIInChI=1S/C5H9NO3/c1-6-4(7)2-3-5(6)9-8/h5,8H,2-3H2,1H3
InChIKeyCHJQAEDTCYTGBP-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroperoxy-1-methylpyrrolidin-2-one 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 5-hydroperoxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-hydroperoxy-1-methylpyrrolidin-2-one (CID 11083917) is 5-hydroperoxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroperoxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-hydroperoxy-1-methylpyrrolidin-2-one is CN1C(=O)CCC1OO.
What is the InChIKey of 5-hydroperoxy-1-methylpyrrolidin-2-one?
The InChIKey is CHJQAEDTCYTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6-4(7)2-3-5(6)9-8/h5,8H,2-3H2,1H3.
What are the key properties of 5-hydroperoxy-1-methylpyrrolidin-2-one?
5-hydroperoxy-1-methylpyrrolidin-2-one has a molecular weight of 131.13 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroperoxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 11083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).