3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride

C9H15ClN2O2 — CID 121440145

IUPAC3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCOCc1cc(C)[nH]c(=O)c1CN.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-6-3-7(5-13-2)8(4-10)9(12)11-6;/h3H,4-5,10H2,1-2H3,(H,11,12);1H
InChIKeyLKTFJAABJQWLOH-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.71
Rot. Bonds3

About 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride

3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 121440145) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID121440145
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride
SMILESCOCc1cc(C)[nH]c(=O)c1CN.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-6-3-7(5-13-2)8(4-10)9(12)11-6;/h3H,4-5,10H2,1-2H3,(H,11,12);1H
InChIKeyLKTFJAABJQWLOH-UHFFFAOYSA-N
XLogP0.71
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride (CID 121440145) is 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride is COCc1cc(C)[nH]c(=O)c1CN.Cl.
What is the InChIKey of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is LKTFJAABJQWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c1-6-3-7(5-13-2)8(4-10)9(12)11-6;/h3H,4-5,10H2,1-2H3,(H,11,12);1H.
What are the key properties of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 121440145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).