4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride

C7H11ClN2O — CID 86811197

IUPAC4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(CN)cc1=O
InChIInChI=1S/C7H10N2O.ClH/c1-9-3-2-6(5-8)4-7(9)10;/h2-4H,5,8H2,1H3;1H
InChIKeyBQUVFYUPVJVGFV-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.27
Rot. Bonds1

About 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride

4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride (PubChem CID 86811197) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
PubChem CID86811197
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(CN)cc1=O
InChIInChI=1S/C7H10N2O.ClH/c1-9-3-2-6(5-8)4-7(9)10;/h2-4H,5,8H2,1H3;1H
InChIKeyBQUVFYUPVJVGFV-UHFFFAOYSA-N
XLogP0.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride (CID 86811197) is 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride is Cl.Cn1ccc(CN)cc1=O.
What is the InChIKey of 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The InChIKey is BQUVFYUPVJVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-9-3-2-6(5-8)4-7(9)10;/h2-4H,5,8H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 86811197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).