pyrrolidine-2,5-dione;hydrochloride

C4H6ClNO2 — CID 21474954

IUPACpyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CCC(=O)N1
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-0.16
Rot. Bonds

About pyrrolidine-2,5-dione;hydrochloride

pyrrolidine-2,5-dione;hydrochloride (PubChem CID 21474954) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-2,5-dione;hydrochloride
PubChem CID21474954
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Namepyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.ClH/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H
InChIKeyZUTNAPRHBFFUBV-UHFFFAOYSA-N
XLogP-0.16
TPSA46.17 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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of pyrrolidine-2,5-dione;hydrochloride (CID 21474954) is pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for pyrrolidine-2,5-dione;hydrochloride is Cl.O=C1CCC(=O)N1.
What is the InChIKey of pyrrolidine-2,5-dione;hydrochloride?
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 pyrrolidine-2,5-dione;hydrochloride?
pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 135.55 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 21474954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).