3-(methylaminomethyl)-1H-pyridin-2-one

C7H10N2O — CID 70230414

IUPAC3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCNCc1ccc[nH]c1=O
InChIInChI=1S/C7H10N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-4,8H,5H2,1H3,(H,9,10)
InChIKeyUHBLQDXZVALSNT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.09
Rot. Bonds2

About 3-(methylaminomethyl)-1H-pyridin-2-one

3-(methylaminomethyl)-1H-pyridin-2-one (PubChem CID 70230414) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(methylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-1H-pyridin-2-one
PubChem CID70230414
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCNCc1ccc[nH]c1=O
InChIInChI=1S/C7H10N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-4,8H,5H2,1H3,(H,9,10)
InChIKeyUHBLQDXZVALSNT-UHFFFAOYSA-N
XLogP0.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-3-methylpyridine
CID 70481
3-Cyano-2-pyridone
CID 577543
3-(Aminomethyl)pyridin-2-ol
CID 579640
2-Hydroxy-3-pyridinecarboxamide
CID 258299
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 12791801
3,4-Dimethylpyridin-2(1H)-one
CID 13140339
2-Hydroxypyridine-3-carbothioamide
CID 43165067
Nicotinamide, N(sup 1)-2'-bromoethyldihydro-
CID 116242
3-(Aminomethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 12847833
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
3-(Aminomethyl)-1-methyl-pyridin-2-one;hydrochloride
CID 117273825
N-hydroxy-2-oxo-1H-pyridine-3-carboxamide
CID 6320121

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(methylaminomethyl)-1H-pyridin-2-one (CID 70230414) is 3-(methylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(methylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(methylaminomethyl)-1H-pyridin-2-one is CNCc1ccc[nH]c1=O.
What is the InChIKey of 3-(methylaminomethyl)-1H-pyridin-2-one?
The InChIKey is UHBLQDXZVALSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-5-6-3-2-4-9-7(6)10/h2-4,8H,5H2,1H3,(H,9,10).
What are the key properties of 3-(methylaminomethyl)-1H-pyridin-2-one?
3-(methylaminomethyl)-1H-pyridin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70230414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).