2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one

C8H11NO2 — CID 19347453

IUPAC2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CO)c(C)c1=O
InChIInChI=1S/C8H11NO2/c1-5-3-9-7(4-10)6(2)8(5)11/h3,10H,4H2,1-2H3,(H,9,11)
InChIKeyQAZJWGGYPDKWMQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.48
Rot. Bonds1

About 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one

2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 19347453) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one
PubChem CID19347453
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CO)c(C)c1=O
InChIInChI=1S/C8H11NO2/c1-5-3-9-7(4-10)6(2)8(5)11/h3,10H,4H2,1-2H3,(H,9,11)
InChIKeyQAZJWGGYPDKWMQ-UHFFFAOYSA-N
XLogP0.48
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one (CID 19347453) is 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CO)c(C)c1=O.
What is the InChIKey of 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is QAZJWGGYPDKWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-9-7(4-10)6(2)8(5)11/h3,10H,4H2,1-2H3,(H,9,11).
What are the key properties of 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one?
2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 19347453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).