(5R)-5-methylpyrrolidin-3-one;hydrochloride

C5H10ClNO — CID 162341971

IUPAC(5R)-5-methylpyrrolidin-3-one;hydrochloride
SMILESC[C@@H]1CC(=O)CN1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyXQFHSNODCITTNM-PGMHMLKASA-N
MW135.59 g/mol
LogP0.36
Rot. Bonds

About (5R)-5-methylpyrrolidin-3-one;hydrochloride

(5R)-5-methylpyrrolidin-3-one;hydrochloride (PubChem CID 162341971) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is (5R)-5-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name(5R)-5-methylpyrrolidin-3-one;hydrochloride
PubChem CID162341971
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name(5R)-5-methylpyrrolidin-3-one;hydrochloride
SMILESC[C@@H]1CC(=O)CN1.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1
InChIKeyXQFHSNODCITTNM-PGMHMLKASA-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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of (5R)-5-methylpyrrolidin-3-one;hydrochloride (CID 162341971) is (5R)-5-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for (5R)-5-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for (5R)-5-methylpyrrolidin-3-one;hydrochloride is C[C@@H]1CC(=O)CN1.Cl.
What is the InChIKey of (5R)-5-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is XQFHSNODCITTNM-PGMHMLKASA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-2-5(7)3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m1./s1.
What are the key properties of (5R)-5-methylpyrrolidin-3-one;hydrochloride?
(5R)-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 (5R)-5-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 162341971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).