4-methylpyrrolidin-3-one;hydrochloride

C5H10ClNO — CID 105427865

IUPAC4-methylpyrrolidin-3-one;hydrochloride
SMILESCC1CNCC1=O.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-6-3-5(4)7;/h4,6H,2-3H2,1H3;1H
InChIKeyZTPXCIOMRSTANA-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.22
Rot. Bonds

About 4-methylpyrrolidin-3-one;hydrochloride

4-methylpyrrolidin-3-one;hydrochloride (PubChem CID 105427865) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 4-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name4-methylpyrrolidin-3-one;hydrochloride
PubChem CID105427865
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name4-methylpyrrolidin-3-one;hydrochloride
SMILESCC1CNCC1=O.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-6-3-5(4)7;/h4,6H,2-3H2,1H3;1H
InChIKeyZTPXCIOMRSTANA-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride
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3,6-dimethylpiperazin-2-one;hydrochloride
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6-tert-butyl-1-methylpiperazin-2-one
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CID 67937001

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 4-methylpyrrolidin-3-one;hydrochloride (CID 105427865) is 4-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 4-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 4-methylpyrrolidin-3-one;hydrochloride is CC1CNCC1=O.Cl.
What is the InChIKey of 4-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is ZTPXCIOMRSTANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-2-6-3-5(4)7;/h4,6H,2-3H2,1H3;1H.
What are the key properties of 4-methylpyrrolidin-3-one;hydrochloride?
4-methylpyrrolidin-3-one;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 105427865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).