4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one

C10H15NO2 — CID 146615391

IUPAC4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCOc1ccn(C)c(=O)c1C(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3
InChIKeyLXMAHTYAJQHHSO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.52
Rot. Bonds2

About 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one

4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 146615391) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID146615391
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCOc1ccn(C)c(=O)c1C(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3
InChIKeyLXMAHTYAJQHHSO-UHFFFAOYSA-N
XLogP1.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one (CID 146615391) is 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one is COc1ccn(C)c(=O)c1C(C)C.
What is the InChIKey of 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is LXMAHTYAJQHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)9-8(13-4)5-6-11(3)10(9)12/h5-7H,1-4H3.
What are the key properties of 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one?
4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146615391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).