5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one

C8H11NO2 — CID 90191912

IUPAC5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESCCc1c[nH]c(CO)cc1=O
InChIInChI=1S/C8H11NO2/c1-2-6-4-9-7(5-10)3-8(6)11/h3-4,10H,2,5H2,1H3,(H,9,11)
InChIKeyLJBHKYXNKUGUGE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds2

About 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one

5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 90191912) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID90191912
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESCCc1c[nH]c(CO)cc1=O
InChIInChI=1S/C8H11NO2/c1-2-6-4-9-7(5-10)3-8(6)11/h3-4,10H,2,5H2,1H3,(H,9,11)
InChIKeyLJBHKYXNKUGUGE-UHFFFAOYSA-N
XLogP0.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one (CID 90191912) is 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one is CCc1c[nH]c(CO)cc1=O.
What is the InChIKey of 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is LJBHKYXNKUGUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-6-4-9-7(5-10)3-8(6)11/h3-4,10H,2,5H2,1H3,(H,9,11).
What are the key properties of 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one?
5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 90191912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).