4-methoxy-3,5-dimethyl-1H-pyridin-2-one

C8H11NO2 — CID 68895931

IUPAC4-methoxy-3,5-dimethyl-1H-pyridin-2-one
SMILESCOc1c(C)c[nH]c(=O)c1C
InChIInChI=1S/C8H11NO2/c1-5-4-9-8(10)6(2)7(5)11-3/h4H,1-3H3,(H,9,10)
InChIKeyYKXFUOQZGXTJHK-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.00
Rot. Bonds1

About 4-methoxy-3,5-dimethyl-1H-pyridin-2-one

4-methoxy-3,5-dimethyl-1H-pyridin-2-one (PubChem CID 68895931) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-1H-pyridin-2-one
PubChem CID68895931
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-methoxy-3,5-dimethyl-1H-pyridin-2-one
SMILESCOc1c(C)c[nH]c(=O)c1C
InChIInChI=1S/C8H11NO2/c1-5-4-9-8(10)6(2)7(5)11-3/h4H,1-3H3,(H,9,10)
InChIKeyYKXFUOQZGXTJHK-UHFFFAOYSA-N
XLogP1.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-3,5-dimethyl-1H-pyridin-2-one (CID 68895931) is 4-methoxy-3,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-3,5-dimethyl-1H-pyridin-2-one is COc1c(C)c[nH]c(=O)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-1H-pyridin-2-one?
The InChIKey is YKXFUOQZGXTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-4-9-8(10)6(2)7(5)11-3/h4H,1-3H3,(H,9,10).
What are the key properties of 4-methoxy-3,5-dimethyl-1H-pyridin-2-one?
4-methoxy-3,5-dimethyl-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 68895931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).