(5S)-5-methylpyrrolidin-2-one;hydrochloride

C5H10ClNO — CID 69463924

IUPAC(5S)-5-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@H]1CCC(=O)N1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-3-5(7)6-4;/h4H,2-3H2,1H3,(H,6,7);1H/t4-;/m0./s1
InChIKeyPULINDSKMJREAY-WCCKRBBISA-N
MW135.59 g/mol
LogP0.71
Rot. Bonds

About (5S)-5-methylpyrrolidin-2-one;hydrochloride

(5S)-5-methylpyrrolidin-2-one;hydrochloride (PubChem CID 69463924) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is (5S)-5-methylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(5S)-5-methylpyrrolidin-2-one;hydrochloride
PubChem CID69463924
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name(5S)-5-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@H]1CCC(=O)N1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-3-5(7)6-4;/h4H,2-3H2,1H3,(H,6,7);1H/t4-;/m0./s1
InChIKeyPULINDSKMJREAY-WCCKRBBISA-N
XLogP0.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylpyrrolidin-2-one;hydrochloride?
The IUPAC name of (5S)-5-methylpyrrolidin-2-one;hydrochloride (CID 69463924) is (5S)-5-methylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (5S)-5-methylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for (5S)-5-methylpyrrolidin-2-one;hydrochloride is C[C@H]1CCC(=O)N1.Cl.
What is the InChIKey of (5S)-5-methylpyrrolidin-2-one;hydrochloride?
The InChIKey is PULINDSKMJREAY-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-2-3-5(7)6-4;/h4H,2-3H2,1H3,(H,6,7);1H/t4-;/m0./s1.
What are the key properties of (5S)-5-methylpyrrolidin-2-one;hydrochloride?
(5S)-5-methylpyrrolidin-2-one;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 69463924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).