1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one

C15H16N2O3 — CID 133447202

IUPAC1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
SMILESCCC(=O)c1ccc(Oc2nccn(CC)c2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-3-13(18)11-5-7-12(8-6-11)20-14-15(19)17(4-2)10-9-16-14/h5-10H,3-4H2,1-2H3
InChIKeyZMUGNKCCMGWZTD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.65
Rot. Bonds5

About 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one

1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one (PubChem CID 133447202) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
PubChem CID133447202
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
SMILESCCC(=O)c1ccc(Oc2nccn(CC)c2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-3-13(18)11-5-7-12(8-6-11)20-14-15(19)17(4-2)10-9-16-14/h5-10H,3-4H2,1-2H3
InChIKeyZMUGNKCCMGWZTD-UHFFFAOYSA-N
XLogP2.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
CID 113458315
5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid
CID 63852066
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
3-bromo-1-ethylpyrazin-2-one
CID 59085559
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one (CID 133447202) is 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one is CCC(=O)c1ccc(Oc2nccn(CC)c2=O)cc1.
What is the InChIKey of 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one?
The InChIKey is ZMUGNKCCMGWZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-13(18)11-5-7-12(8-6-11)20-14-15(19)17(4-2)10-9-16-14/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one?
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one is sourced from PubChem (CID 133447202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).