3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one

C11H13NO3 — CID 15555017

IUPAC3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)[nH]c(=O)c(C(C)=O)c1C
InChIInChI=1S/C11H13NO3/c1-5-9(7(3)13)6(2)12-11(15)10(5)8(4)14/h1-4H3,(H,12,15)
InChIKeyBJAPIWBBXRUUKD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.40
Rot. Bonds2

About 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one

3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 15555017) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID15555017
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)[nH]c(=O)c(C(C)=O)c1C
InChIInChI=1S/C11H13NO3/c1-5-9(7(3)13)6(2)12-11(15)10(5)8(4)14/h1-4H3,(H,12,15)
InChIKeyBJAPIWBBXRUUKD-UHFFFAOYSA-N
XLogP1.40
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 4239577
5-acetyl-4-hydroxy-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 54708964
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
1-[5-(1-chloroethyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 130719261
2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
3-acetyl-4,5-dimethyl-1H-pyridin-2-one
CID 14841769
6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one
CID 155712634
1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 9006630
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-ethylazanium
CID 2108111
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645
5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
CID 151232470
1-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71680203

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one (CID 15555017) is 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one is CC(=O)c1c(C)[nH]c(=O)c(C(C)=O)c1C.
What is the InChIKey of 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BJAPIWBBXRUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-5-9(7(3)13)6(2)12-11(15)10(5)8(4)14/h1-4H3,(H,12,15).
What are the key properties of 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one?
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 15555017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).