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

C7H11ClN2O — CID 76847940

IUPAC3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
SMILESCC1=CC=NC(=O)C1CN.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-2-3-9-7(10)6(5)4-8;/h2-3,6H,4,8H2,1H3;1H
InChIKeyUDYSRVKYWDETRB-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.54
Rot. Bonds1

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

3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride (PubChem CID 76847940) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
PubChem CID76847940
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride
SMILESCC1=CC=NC(=O)C1CN.Cl
InChIInChI=1S/C7H10N2O.ClH/c1-5-2-3-9-7(10)6(5)4-8;/h2-3,6H,4,8H2,1H3;1H
InChIKeyUDYSRVKYWDETRB-UHFFFAOYSA-N
XLogP0.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-methyl-4H-1,2-oxazol-5-one
CID 79220322
7aH-thieno[2,3-c]pyridin-7-one
CID 76845842
3-bromo-3aH-thieno[3,2-c]pyridin-4-one
CID 73446382
7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one
CID 137319745
4-(aminomethyl)-5-methyl-2-[(4-methylphenyl)methyl]-4H-pyrazol-3-one
CID 79219820
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
4-(aminomethyl)-2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
CID 79219342
imidazol-2-one;dihydrochloride
CID 141211707
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride (CID 76847940) is 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride is CC1=CC=NC(=O)C1CN.Cl.
What is the InChIKey of 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride?
The InChIKey is UDYSRVKYWDETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-5-2-3-9-7(10)6(5)4-8;/h2-3,6H,4,8H2,1H3;1H.
What are the key properties of 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-3H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 76847940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).