1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one

C17H19NO4 — CID 10063429

IUPAC1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one
SMILESCOc1cc(/C=C\c2ccn(C)c(=O)c2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-18-8-7-12(11-16(18)19)5-6-13-9-14(20-2)17(22-4)15(10-13)21-3/h5-11H,1-4H3/b6-5-
InChIKeyJNCXFXVQUPPSHN-WAYWQWQTSA-N
MW301.34 g/mol
LogP2.58
Rot. Bonds5

About 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one

1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one (PubChem CID 10063429) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one
PubChem CID10063429
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one
SMILESCOc1cc(/C=C\c2ccn(C)c(=O)c2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-18-8-7-12(11-16(18)19)5-6-13-9-14(20-2)17(22-4)15(10-13)21-3/h5-11H,1-4H3/b6-5-
InChIKeyJNCXFXVQUPPSHN-WAYWQWQTSA-N
XLogP2.58
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one (CID 10063429) is 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one is COc1cc(/C=C\c2ccn(C)c(=O)c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one?
The InChIKey is JNCXFXVQUPPSHN-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H19NO4/c1-18-8-7-12(11-16(18)19)5-6-13-9-14(20-2)17(22-4)15(10-13)21-3/h5-11H,1-4H3/b6-5-.
What are the key properties of 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one?
1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one has a molecular weight of 301.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 10063429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).