pyrrolidin-1-ium-2,5-dione chloride

C4H6ClNO2 — CID 101366629

IUPACpyrrolidin-1-ium-2,5-dione chloride
SMILESO=C1CCC(=O)[NH2+]1.[Cl-]
InChIInChI=1S/C4H5NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H
InChIKeyZUTNAPRHBFFUBV-UHFFFAOYSA-N
MW135.55 g/mol
LogP-4.60
Rot. Bonds

About pyrrolidin-1-ium-2,5-dione chloride

pyrrolidin-1-ium-2,5-dione chloride (PubChem CID 101366629) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is pyrrolidin-1-ium-2,5-dione chloride.

Molecular Properties

Compound Namepyrrolidin-1-ium-2,5-dione chloride
PubChem CID101366629
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Namepyrrolidin-1-ium-2,5-dione chloride
SMILESO=C1CCC(=O)[NH2+]1.[Cl-]
InChIInChI=1S/C4H5NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H
InChIKeyZUTNAPRHBFFUBV-UHFFFAOYSA-N
XLogP-4.60
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 5-4.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze pyrrolidin-1-ium-2,5-dione chloride 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 pyrrolidin-1-ium-2,5-dione chloride?
The IUPAC name of pyrrolidin-1-ium-2,5-dione chloride (CID 101366629) is pyrrolidin-1-ium-2,5-dione chloride.
What is the SMILES notation for pyrrolidin-1-ium-2,5-dione chloride?
The canonical SMILES for pyrrolidin-1-ium-2,5-dione chloride is O=C1CCC(=O)[NH2+]1.[Cl-].
What is the InChIKey of pyrrolidin-1-ium-2,5-dione chloride?
The InChIKey is ZUTNAPRHBFFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H.
What are the key properties of pyrrolidin-1-ium-2,5-dione chloride?
pyrrolidin-1-ium-2,5-dione chloride has a molecular weight of 135.55 g/mol, XLogP of -4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ium-2,5-dione chloride is sourced from PubChem (CID 101366629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).