6-methoxy-1-propylpyridin-2-one

C9H13NO2 — CID 102277010

IUPAC6-methoxy-1-propylpyridin-2-one
SMILESCCCn1c(OC)cccc1=O
InChIInChI=1S/C9H13NO2/c1-3-7-10-8(11)5-4-6-9(10)12-2/h4-6H,3,7H2,1-2H3
InChIKeyHLYZQDNUEPDXEH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.27
Rot. Bonds3

About 6-methoxy-1-propylpyridin-2-one

6-methoxy-1-propylpyridin-2-one (PubChem CID 102277010) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methoxy-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-propylpyridin-2-one
PubChem CID102277010
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-methoxy-1-propylpyridin-2-one
SMILESCCCn1c(OC)cccc1=O
InChIInChI=1S/C9H13NO2/c1-3-7-10-8(11)5-4-6-9(10)12-2/h4-6H,3,7H2,1-2H3
InChIKeyHLYZQDNUEPDXEH-UHFFFAOYSA-N
XLogP1.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propylpyridin-2-one?
The IUPAC name of 6-methoxy-1-propylpyridin-2-one (CID 102277010) is 6-methoxy-1-propylpyridin-2-one.
What is the SMILES notation for 6-methoxy-1-propylpyridin-2-one?
The canonical SMILES for 6-methoxy-1-propylpyridin-2-one is CCCn1c(OC)cccc1=O.
What is the InChIKey of 6-methoxy-1-propylpyridin-2-one?
The InChIKey is HLYZQDNUEPDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-7-10-8(11)5-4-6-9(10)12-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 6-methoxy-1-propylpyridin-2-one?
6-methoxy-1-propylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propylpyridin-2-one is sourced from PubChem (CID 102277010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).