4-butan-2-yloxy-1-methylpyridin-2-one

C10H15NO2 — CID 163998897

IUPAC4-butan-2-yloxy-1-methylpyridin-2-one
SMILESCCC(C)Oc1ccn(C)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-4-8(2)13-9-5-6-11(3)10(12)7-9/h5-8H,4H2,1-3H3
InChIKeyUHEDQTVVDMHJMF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.56
Rot. Bonds3

About 4-butan-2-yloxy-1-methylpyridin-2-one

4-butan-2-yloxy-1-methylpyridin-2-one (PubChem CID 163998897) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-butan-2-yloxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-butan-2-yloxy-1-methylpyridin-2-one
PubChem CID163998897
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-butan-2-yloxy-1-methylpyridin-2-one
SMILESCCC(C)Oc1ccn(C)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-4-8(2)13-9-5-6-11(3)10(12)7-9/h5-8H,4H2,1-3H3
InChIKeyUHEDQTVVDMHJMF-UHFFFAOYSA-N
XLogP1.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yloxy-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-1-methylpyridin-2-one?
The IUPAC name of 4-butan-2-yloxy-1-methylpyridin-2-one (CID 163998897) is 4-butan-2-yloxy-1-methylpyridin-2-one.
What is the SMILES notation for 4-butan-2-yloxy-1-methylpyridin-2-one?
The canonical SMILES for 4-butan-2-yloxy-1-methylpyridin-2-one is CCC(C)Oc1ccn(C)c(=O)c1.
What is the InChIKey of 4-butan-2-yloxy-1-methylpyridin-2-one?
The InChIKey is UHEDQTVVDMHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8(2)13-9-5-6-11(3)10(12)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-1-methylpyridin-2-one?
4-butan-2-yloxy-1-methylpyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-1-methylpyridin-2-one is sourced from PubChem (CID 163998897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).