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

C7H11ClN2O — CID 117273825

IUPAC3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1cccc(CN)c1=O
InChIInChI=1S/C7H10N2O.ClH/c1-9-4-2-3-6(5-8)7(9)10;/h2-4H,5,8H2,1H3;1H
InChIKeyGUJXNNDJLCBGIZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.27
Rot. Bonds1

About 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride

3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride (PubChem CID 117273825) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
PubChem CID117273825
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1cccc(CN)c1=O
InChIInChI=1S/C7H10N2O.ClH/c1-9-4-2-3-6(5-8)7(9)10;/h2-4H,5,8H2,1H3;1H
InChIKeyGUJXNNDJLCBGIZ-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 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride (CID 117273825) is 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride is Cl.Cn1cccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
The InChIKey is GUJXNNDJLCBGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.ClH/c1-9-4-2-3-6(5-8)7(9)10;/h2-4H,5,8H2,1H3;1H.
What are the key properties of 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride?
3-(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 3-(aminomethyl)-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 117273825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).