6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one

C10H15NO2 — CID 70376753

IUPAC6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one
SMILESCCCC1C=NC(CC)=C(O)C1=O
InChIInChI=1S/C10H15NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h6-7,13H,3-5H2,1-2H3
InChIKeyBBBVZUJCDJKCDU-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.24
Rot. Bonds3

About 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one

6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one (PubChem CID 70376753) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one.

Molecular Properties

Compound Name6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one
PubChem CID70376753
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one
SMILESCCCC1C=NC(CC)=C(O)C1=O
InChIInChI=1S/C10H15NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h6-7,13H,3-5H2,1-2H3
InChIKeyBBBVZUJCDJKCDU-UHFFFAOYSA-N
XLogP2.24
TPSA49.66 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one?
The IUPAC name of 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one (CID 70376753) is 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one.
What is the SMILES notation for 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one?
The canonical SMILES for 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one is CCCC1C=NC(CC)=C(O)C1=O.
What is the InChIKey of 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one?
The InChIKey is BBBVZUJCDJKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-7-6-11-8(4-2)10(13)9(7)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one?
6-ethyl-5-hydroxy-3-propyl-3H-pyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 2.24, 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-propyl-3H-pyridin-4-one is sourced from PubChem (CID 70376753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).