3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one

C9H11NO3 — CID 167052179

IUPAC3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one
SMILESCOc1[nH]c(C)cc(=O)c1C(C)=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(10-5)13-3/h4H,1-3H3,(H,10,12)
InChIKeySUEKYSBJVDCBTP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.89
Rot. Bonds2

About 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one

3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one (PubChem CID 167052179) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one
PubChem CID167052179
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one
SMILESCOc1[nH]c(C)cc(=O)c1C(C)=O
InChIInChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(10-5)13-3/h4H,1-3H3,(H,10,12)
InChIKeySUEKYSBJVDCBTP-UHFFFAOYSA-N
XLogP0.89
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one?
The IUPAC name of 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one (CID 167052179) is 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one is COc1[nH]c(C)cc(=O)c1C(C)=O.
What is the InChIKey of 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one?
The InChIKey is SUEKYSBJVDCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-4-7(12)8(6(2)11)9(10-5)13-3/h4H,1-3H3,(H,10,12).
What are the key properties of 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one?
3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 167052179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).