1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one

C10H15NO2 — CID 176600296

IUPAC1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccn(CCO)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-8(2)9-3-4-11(5-6-12)10(13)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyTVEOVJKNIBPZOO-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one

1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one (PubChem CID 176600296) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one
PubChem CID176600296
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccn(CCO)c(=O)c1
InChIInChI=1S/C10H15NO2/c1-8(2)9-3-4-11(5-6-12)10(13)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyTVEOVJKNIBPZOO-UHFFFAOYSA-N
XLogP0.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one (CID 176600296) is 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one is CC(C)c1ccn(CCO)c(=O)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one?
The InChIKey is TVEOVJKNIBPZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)9-3-4-11(5-6-12)10(13)7-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one?
1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-propan-2-ylpyridin-2-one is sourced from PubChem (CID 176600296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).