pyrrolidin-2-one;hydrochloride

C4H8ClNO — CID 3048222

IUPACpyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1
InChIInChI=1S/C4H7NO.ClH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H
InChIKeyRASPWLYDBYZRCR-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.32
Rot. Bonds

About pyrrolidin-2-one;hydrochloride

pyrrolidin-2-one;hydrochloride (PubChem CID 3048222) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-2-one;hydrochloride
PubChem CID3048222
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Namepyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1
InChIInChI=1S/C4H7NO.ClH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H
InChIKeyRASPWLYDBYZRCR-UHFFFAOYSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze pyrrolidin-2-one;hydrochloride 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-2-one;hydrochloride?
The IUPAC name of pyrrolidin-2-one;hydrochloride (CID 3048222) is pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for pyrrolidin-2-one;hydrochloride?
The canonical SMILES for pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one;hydrochloride?
The InChIKey is RASPWLYDBYZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.ClH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H.
What are the key properties of pyrrolidin-2-one;hydrochloride?
pyrrolidin-2-one;hydrochloride has a molecular weight of 121.57 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 3048222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).