3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one

C10H15NO2 — CID 130577065

IUPAC3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one
SMILESCc1cn(COC(C)C)ccc1=O
InChIInChI=1S/C10H15NO2/c1-8(2)13-7-11-5-4-10(12)9(3)6-11/h4-6,8H,7H2,1-3H3
InChIKeyJOYXIFAABYXBFL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one

3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one (PubChem CID 130577065) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one
PubChem CID130577065
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one
SMILESCc1cn(COC(C)C)ccc1=O
InChIInChI=1S/C10H15NO2/c1-8(2)13-7-11-5-4-10(12)9(3)6-11/h4-6,8H,7H2,1-3H3
InChIKeyJOYXIFAABYXBFL-UHFFFAOYSA-N
XLogP1.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one?
The IUPAC name of 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one (CID 130577065) is 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one.
What is the SMILES notation for 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one?
The canonical SMILES for 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one is Cc1cn(COC(C)C)ccc1=O.
What is the InChIKey of 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one?
The InChIKey is JOYXIFAABYXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)13-7-11-5-4-10(12)9(3)6-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one?
3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propan-2-yloxymethyl)pyridin-4-one is sourced from PubChem (CID 130577065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).