6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one

C10H13NO2 — CID 70399465

IUPAC6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one
SMILESC=CCC1C=NC(CC)=C(O)C1=O
InChIInChI=1S/C10H13NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h3,6-7,13H,1,4-5H2,2H3
InChIKeyGJHHGUOVLZYTTO-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.01
Rot. Bonds3

About 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one

6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one (PubChem CID 70399465) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one.

Molecular Properties

Compound Name6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one
PubChem CID70399465
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one
SMILESC=CCC1C=NC(CC)=C(O)C1=O
InChIInChI=1S/C10H13NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h3,6-7,13H,1,4-5H2,2H3
InChIKeyGJHHGUOVLZYTTO-UHFFFAOYSA-N
XLogP2.01
TPSA49.66 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 ≤ 52.01
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 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one?
The IUPAC name of 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one (CID 70399465) is 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one.
What is the SMILES notation for 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one?
The canonical SMILES for 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one is C=CCC1C=NC(CC)=C(O)C1=O.
What is the InChIKey of 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one?
The InChIKey is GJHHGUOVLZYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h3,6-7,13H,1,4-5H2,2H3.
What are the key properties of 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one?
6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-hydroxy-3-prop-2-enyl-3H-pyridin-4-one is sourced from PubChem (CID 70399465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).