2-methyl-3-propoxy-1H-pyridin-4-one

C9H13NO2 — CID 82064605

IUPAC2-methyl-3-propoxy-1H-pyridin-4-one
SMILESCCCOc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H13NO2/c1-3-6-12-9-7(2)10-5-4-8(9)11/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyOBKAKHPPQJOWCW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.47
Rot. Bonds3

About 2-methyl-3-propoxy-1H-pyridin-4-one

2-methyl-3-propoxy-1H-pyridin-4-one (PubChem CID 82064605) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-3-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-propoxy-1H-pyridin-4-one
PubChem CID82064605
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-methyl-3-propoxy-1H-pyridin-4-one
SMILESCCCOc1c(C)[nH]ccc1=O
InChIInChI=1S/C9H13NO2/c1-3-6-12-9-7(2)10-5-4-8(9)11/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyOBKAKHPPQJOWCW-UHFFFAOYSA-N
XLogP1.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-propoxy-1H-pyridin-4-one (CID 82064605) is 2-methyl-3-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-propoxy-1H-pyridin-4-one is CCCOc1c(C)[nH]ccc1=O.
What is the InChIKey of 2-methyl-3-propoxy-1H-pyridin-4-one?
The InChIKey is OBKAKHPPQJOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-6-12-9-7(2)10-5-4-8(9)11/h4-5H,3,6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-3-propoxy-1H-pyridin-4-one?
2-methyl-3-propoxy-1H-pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 82064605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).