2-(methylaminomethyl)-1H-pyridin-4-one

C7H10N2O — CID 82651141

IUPAC2-(methylaminomethyl)-1H-pyridin-4-one
SMILESCNCc1cc(=O)cc[nH]1
InChIInChI=1S/C7H10N2O/c1-8-5-6-4-7(10)2-3-9-6/h2-4,8H,5H2,1H3,(H,9,10)
InChIKeyNTMFMGRUDZJRIP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.09
Rot. Bonds2

About 2-(methylaminomethyl)-1H-pyridin-4-one

2-(methylaminomethyl)-1H-pyridin-4-one (PubChem CID 82651141) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(methylaminomethyl)-1H-pyridin-4-one
PubChem CID82651141
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(methylaminomethyl)-1H-pyridin-4-one
SMILESCNCc1cc(=O)cc[nH]1
InChIInChI=1S/C7H10N2O/c1-8-5-6-4-7(10)2-3-9-6/h2-4,8H,5H2,1H3,(H,9,10)
InChIKeyNTMFMGRUDZJRIP-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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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(methylaminomethyl)-1H-pyridin-4-one (CID 82651141) is 2-(methylaminomethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(methylaminomethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(methylaminomethyl)-1H-pyridin-4-one is CNCc1cc(=O)cc[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-1H-pyridin-4-one?
The InChIKey is NTMFMGRUDZJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-5-6-4-7(10)2-3-9-6/h2-4,8H,5H2,1H3,(H,9,10).
What are the key properties of 2-(methylaminomethyl)-1H-pyridin-4-one?
2-(methylaminomethyl)-1H-pyridin-4-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 2-(methylaminomethyl)-1H-pyridin-4-one is sourced from PubChem (CID 82651141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).