5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one

C11H15NO2 — CID 19762913

IUPAC5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C11H15NO2/c1-4-5-9-6-10(8(3)13)7(2)12-11(9)14/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyNCTRXKCWHCRXEJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.84
Rot. Bonds3

About 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one

5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one (PubChem CID 19762913) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one
PubChem CID19762913
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C11H15NO2/c1-4-5-9-6-10(8(3)13)7(2)12-11(9)14/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyNCTRXKCWHCRXEJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-7,8-dihydro-5(6H)-quinolinone
CID 267450
3-acetyl-4,6-dimethyl-1H-pyridin-2-one
CID 2302267
2(1H)-Pyridinone, 3,3'-(1,2-ethanediyl)bis(5-ethyl-6-methyl-
CID 454340
N-(3-oxocyclohex-1-en-1-yl)acetamide
CID 2751403
5-acetyl-6-methyl-2(1H)-pyridinone
CID 4421736
Streptokordin
CID 11579160
Mls000079205
CID 659086
2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 3446569
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
6-Ethyl-5-propanoylpyridin-2(1H)-one
CID 13236508
4-Methylidene-1,5-dihydroindole-2,3-dione
CID 70398209

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one (CID 19762913) is 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one is CCCc1cc(C(C)=O)c(C)[nH]c1=O.
What is the InChIKey of 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one?
The InChIKey is NCTRXKCWHCRXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-9-6-10(8(3)13)7(2)12-11(9)14/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one?
5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one is sourced from PubChem (CID 19762913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).