3-methoxy-2,6-dimethyl-1H-pyridin-4-one

C8H11NO2 — CID 22574695

IUPAC3-methoxy-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-5-4-7(10)8(11-3)6(2)9-5/h4H,1-3H3,(H,9,10)
InChIKeyMTKAOPGTNSCCRB-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.00
Rot. Bonds1

About 3-methoxy-2,6-dimethyl-1H-pyridin-4-one

3-methoxy-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 22574695) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2,6-dimethyl-1H-pyridin-4-one
PubChem CID22574695
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxy-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C8H11NO2/c1-5-4-7(10)8(11-3)6(2)9-5/h4H,1-3H3,(H,9,10)
InChIKeyMTKAOPGTNSCCRB-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 3-methoxy-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2,6-dimethyl-1H-pyridin-4-one (CID 22574695) is 3-methoxy-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2,6-dimethyl-1H-pyridin-4-one is COc1c(C)[nH]c(C)cc1=O.
What is the InChIKey of 3-methoxy-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is MTKAOPGTNSCCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-4-7(10)8(11-3)6(2)9-5/h4H,1-3H3,(H,9,10).
What are the key properties of 3-methoxy-2,6-dimethyl-1H-pyridin-4-one?
3-methoxy-2,6-dimethyl-1H-pyridin-4-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 3-methoxy-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 22574695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).