2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one

C10H13NO2 — CID 3079582

IUPAC2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C10H13NO2/c1-3-6-11-7-5-9(12)10(13)8(11)4-2/h3,5,7,13H,1,4,6H2,2H3
InChIKeyPSYSVHFNMJIPHS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds3

About 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one

2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one (PubChem CID 3079582) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one
PubChem CID3079582
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one
SMILESC=CCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C10H13NO2/c1-3-6-11-7-5-9(12)10(13)8(11)4-2/h3,5,7,13H,1,4,6H2,2H3
InChIKeyPSYSVHFNMJIPHS-UHFFFAOYSA-N
XLogP1.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one (CID 3079582) is 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one is C=CCn1ccc(=O)c(O)c1CC.
What is the InChIKey of 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one?
The InChIKey is PSYSVHFNMJIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-6-11-7-5-9(12)10(13)8(11)4-2/h3,5,7,13H,1,4,6H2,2H3.
What are the key properties of 2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one?
2-ethyl-3-hydroxy-1-prop-2-enylpyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 1.30, 3 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-prop-2-enylpyridin-4-one is sourced from PubChem (CID 3079582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).