3-amino-1-methyl-5-propan-2-ylpyridin-2-one

C9H14N2O — CID 138585440

IUPAC3-amino-1-methyl-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(N)c(=O)n(C)c1
InChIInChI=1S/C9H14N2O/c1-6(2)7-4-8(10)9(12)11(3)5-7/h4-6H,10H2,1-3H3
InChIKeyCJFCKGZQXYTYJG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.09
Rot. Bonds1

About 3-amino-1-methyl-5-propan-2-ylpyridin-2-one

3-amino-1-methyl-5-propan-2-ylpyridin-2-one (PubChem CID 138585440) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-methyl-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-propan-2-ylpyridin-2-one
PubChem CID138585440
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-methyl-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(N)c(=O)n(C)c1
InChIInChI=1S/C9H14N2O/c1-6(2)7-4-8(10)9(12)11(3)5-7/h4-6H,10H2,1-3H3
InChIKeyCJFCKGZQXYTYJG-UHFFFAOYSA-N
XLogP1.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-1-methyl-5-propan-2-ylpyridin-2-one (CID 138585440) is 3-amino-1-methyl-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-propan-2-ylpyridin-2-one is CC(C)c1cc(N)c(=O)n(C)c1.
What is the InChIKey of 3-amino-1-methyl-5-propan-2-ylpyridin-2-one?
The InChIKey is CJFCKGZQXYTYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)7-4-8(10)9(12)11(3)5-7/h4-6H,10H2,1-3H3.
What are the key properties of 3-amino-1-methyl-5-propan-2-ylpyridin-2-one?
3-amino-1-methyl-5-propan-2-ylpyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 138585440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).