5-methylpyrrolidin-3-one;hydrochloride

C5H10ClNO — CID 115011293

IUPAC5-methylpyrrolidin-3-one;hydrochloride
SMILESCC1CC(=O)CN1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H
InChIKeyXQFHSNODCITTNM-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.36
Rot. Bonds

About 5-methylpyrrolidin-3-one;hydrochloride

5-methylpyrrolidin-3-one;hydrochloride (PubChem CID 115011293) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 5-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name5-methylpyrrolidin-3-one;hydrochloride
PubChem CID115011293
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name5-methylpyrrolidin-3-one;hydrochloride
SMILESCC1CC(=O)CN1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H
InChIKeyXQFHSNODCITTNM-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methylpyrrolidin-3-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

Related Compounds

2-Acetylpyrrolidine
CID 550747
1-[(2R)-Pyrrolidin-2-yl]propan-2-one
CID 15250836
1-(Pyrrolidin-2-yl)propan-2-one
CID 45085262
5,5-Dimethylpyrrolidin-3-one hydrochloride
CID 71757523
1-[(2S)-pyrrolidin-2-yl]propan-1-one
CID 46863477
2-Methylpyrrolidin-3-one
CID 22262513
5,5-Dimethylpyrrolidin-3-one
CID 55300602
1-[(2S)-pyrrolidin-2-yl]propan-2-one
CID 55299747
Pyrrolidin-3-one hydrochloride
CID 19106857
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
CID 67727416
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]ethanone
CID 68047194
1-(Pyrrolidin-2-yl)propan-1-one
CID 15775374

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 5-methylpyrrolidin-3-one;hydrochloride (CID 115011293) is 5-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 5-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 5-methylpyrrolidin-3-one;hydrochloride is CC1CC(=O)CN1.Cl.
What is the InChIKey of 5-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is XQFHSNODCITTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H.
What are the key properties of 5-methylpyrrolidin-3-one;hydrochloride?
5-methylpyrrolidin-3-one;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115011293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).