(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride

C6H13ClN2O — CID 170901449

IUPAC(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@]1(CN)CCC(=O)N1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-6(4-7)3-2-5(9)8-6;/h2-4,7H2,1H3,(H,8,9);1H/t6-;/m1./s1
InChIKeyQJSJBVBYBKDJHO-FYZOBXCZSA-N
MW164.64 g/mol
LogP0.04
Rot. Bonds1

About (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride

(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride (PubChem CID 170901449) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
PubChem CID170901449
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@]1(CN)CCC(=O)N1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-6(4-7)3-2-5(9)8-6;/h2-4,7H2,1H3,(H,8,9);1H/t6-;/m1./s1
InChIKeyQJSJBVBYBKDJHO-FYZOBXCZSA-N
XLogP0.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride?
The IUPAC name of (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride (CID 170901449) is (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride is C[C@]1(CN)CCC(=O)N1.Cl.
What is the InChIKey of (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride?
The InChIKey is QJSJBVBYBKDJHO-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-6(4-7)3-2-5(9)8-6;/h2-4,7H2,1H3,(H,8,9);1H/t6-;/m1./s1.
What are the key properties of (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride?
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 170901449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).