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

C9H13NO2 — CID 171101157

IUPAC4-methoxy-1-propan-2-ylpyridin-2-one
SMILESCOc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
InChIKeyUWFJUQMWPCOQGD-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.44
Rot. Bonds2

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

4-methoxy-1-propan-2-ylpyridin-2-one (PubChem CID 171101157) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methoxy-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1-propan-2-ylpyridin-2-one
PubChem CID171101157
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methoxy-1-propan-2-ylpyridin-2-one
SMILESCOc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
InChIKeyUWFJUQMWPCOQGD-UHFFFAOYSA-N
XLogP1.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-methoxy-1-propan-2-ylpyridin-2-one (CID 171101157) is 4-methoxy-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-methoxy-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-methoxy-1-propan-2-ylpyridin-2-one is COc1ccn(C(C)C)c(=O)c1.
What is the InChIKey of 4-methoxy-1-propan-2-ylpyridin-2-one?
The InChIKey is UWFJUQMWPCOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3.
What are the key properties of 4-methoxy-1-propan-2-ylpyridin-2-one?
4-methoxy-1-propan-2-ylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171101157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).