3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one

C8H11NO2 — CID 67348505

IUPAC3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(O)c(C)c1C
InChIInChI=1S/C8H11NO2/c1-4-5(2)7(10)8(11)9-6(4)3/h10H,1-3H3,(H,9,11)
InChIKeyQEWJHYODIUYKHV-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.01
Rot. Bonds

About 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one

3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 67348505) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one
PubChem CID67348505
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(O)c(C)c1C
InChIInChI=1S/C8H11NO2/c1-4-5(2)7(10)8(11)9-6(4)3/h10H,1-3H3,(H,9,11)
InChIKeyQEWJHYODIUYKHV-UHFFFAOYSA-N
XLogP1.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one (CID 67348505) is 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(O)c(C)c1C.
What is the InChIKey of 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is QEWJHYODIUYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-5(2)7(10)8(11)9-6(4)3/h10H,1-3H3,(H,9,11).
What are the key properties of 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one?
3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 67348505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).