2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one

C10H15NO2 — CID 14956304

IUPAC2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C(C)C
InChIInChI=1S/C10H15NO2/c1-4-8-10(13)9(12)5-6-11(8)7(2)3/h5-7,13H,4H2,1-3H3
InChIKeyPXGAGECVRBOGHU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.70
Rot. Bonds2

About 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one

2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one (PubChem CID 14956304) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one
PubChem CID14956304
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one
SMILESCCc1c(O)c(=O)ccn1C(C)C
InChIInChI=1S/C10H15NO2/c1-4-8-10(13)9(12)5-6-11(8)7(2)3/h5-7,13H,4H2,1-3H3
InChIKeyPXGAGECVRBOGHU-UHFFFAOYSA-N
XLogP1.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one (CID 14956304) is 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one is CCc1c(O)c(=O)ccn1C(C)C.
What is the InChIKey of 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one?
The InChIKey is PXGAGECVRBOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-10(13)9(12)5-6-11(8)7(2)3/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one?
2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one has a molecular weight of 181.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 14956304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).