3-methyl-4-propanoyl-1H-pyridin-2-one

C9H11NO2 — CID 10797117

IUPAC3-methyl-4-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1cc[nH]c(=O)c1C
InChIInChI=1S/C9H11NO2/c1-3-8(11)7-4-5-10-9(12)6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGHNOFXWWSICNMB-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.28
Rot. Bonds2

About 3-methyl-4-propanoyl-1H-pyridin-2-one

3-methyl-4-propanoyl-1H-pyridin-2-one (PubChem CID 10797117) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-methyl-4-propanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-4-propanoyl-1H-pyridin-2-one
PubChem CID10797117
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-methyl-4-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1cc[nH]c(=O)c1C
InChIInChI=1S/C9H11NO2/c1-3-8(11)7-4-5-10-9(12)6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGHNOFXWWSICNMB-UHFFFAOYSA-N
XLogP1.28
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
1-[2-methyl-3,4-di(propanoyl)phenyl]propan-1-one
CID 54496019
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate
CID 151936228
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
1-(2-methyl-3-sulfanylphenyl)propan-1-one
CID 131052001
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
1-(2-sulfanylidene-1H-pyridin-3-yl)propan-1-one
CID 77228632
3-hydroxy-2-oxo-1H-pyridine-4-carboxamide
CID 67593311
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
4-ethyl-3-methyl-1H-pyridin-2-one;2-hydroxybutanedioic acid
CID 175032123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propanoyl-1H-pyridin-2-one?
The IUPAC name of 3-methyl-4-propanoyl-1H-pyridin-2-one (CID 10797117) is 3-methyl-4-propanoyl-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-4-propanoyl-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-4-propanoyl-1H-pyridin-2-one is CCC(=O)c1cc[nH]c(=O)c1C.
What is the InChIKey of 3-methyl-4-propanoyl-1H-pyridin-2-one?
The InChIKey is GHNOFXWWSICNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-8(11)7-4-5-10-9(12)6(7)2/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 3-methyl-4-propanoyl-1H-pyridin-2-one?
3-methyl-4-propanoyl-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propanoyl-1H-pyridin-2-one is sourced from PubChem (CID 10797117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).