5-(aminomethyl)-1,3-dimethylpyridin-2-one

C8H12N2O — CID 71531830

IUPAC5-(aminomethyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(CN)cn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-6-3-7(4-9)5-10(2)8(6)11/h3,5H,4,9H2,1-2H3
InChIKeyGSUWMEBAUUPOMC-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.15
Rot. Bonds1

About 5-(aminomethyl)-1,3-dimethylpyridin-2-one

5-(aminomethyl)-1,3-dimethylpyridin-2-one (PubChem CID 71531830) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-dimethylpyridin-2-one
PubChem CID71531830
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(aminomethyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(CN)cn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-6-3-7(4-9)5-10(2)8(6)11/h3,5H,4,9H2,1-2H3
InChIKeyGSUWMEBAUUPOMC-UHFFFAOYSA-N
XLogP0.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1,3-dimethylpyridin-2-one (CID 71531830) is 5-(aminomethyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3-dimethylpyridin-2-one is Cc1cc(CN)cn(C)c1=O.
What is the InChIKey of 5-(aminomethyl)-1,3-dimethylpyridin-2-one?
The InChIKey is GSUWMEBAUUPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-7(4-9)5-10(2)8(6)11/h3,5H,4,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1,3-dimethylpyridin-2-one?
5-(aminomethyl)-1,3-dimethylpyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 71531830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).