5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one

C7H11NO2 — CID 69185841

IUPAC5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one
SMILESCOC1=CC(=O)C(C)NC1
InChIInChI=1S/C7H11NO2/c1-5-7(9)3-6(10-2)4-8-5/h3,5,8H,4H2,1-2H3
InChIKeyCNSBCSXMCFHNFH-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds1

About 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one

5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one (PubChem CID 69185841) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one
PubChem CID69185841
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one
SMILESCOC1=CC(=O)C(C)NC1
InChIInChI=1S/C7H11NO2/c1-5-7(9)3-6(10-2)4-8-5/h3,5,8H,4H2,1-2H3
InChIKeyCNSBCSXMCFHNFH-UHFFFAOYSA-N
XLogP0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one?
The IUPAC name of 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one (CID 69185841) is 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one.
What is the SMILES notation for 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one?
The canonical SMILES for 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one is COC1=CC(=O)C(C)NC1.
What is the InChIKey of 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one?
The InChIKey is CNSBCSXMCFHNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(9)3-6(10-2)4-8-5/h3,5,8H,4H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one?
5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-2,6-dihydro-1H-pyridin-3-one is sourced from PubChem (CID 69185841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).