4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one

C16H25NO — CID 163798146

IUPAC4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one
SMILESC/C=C(/C)c1ccn(C(C)C(C)C)c(=O)c1CC
InChIInChI=1S/C16H25NO/c1-7-12(5)15-9-10-17(13(6)11(3)4)16(18)14(15)8-2/h7,9-11,13H,8H2,1-6H3/b12-7-
InChIKeyNCPQDXRVOFUASN-GHXNOFRVSA-N
MW247.38 g/mol
LogP4.05
Rot. Bonds4

About 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one

4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one (PubChem CID 163798146) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one
PubChem CID163798146
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one
SMILESC/C=C(/C)c1ccn(C(C)C(C)C)c(=O)c1CC
InChIInChI=1S/C16H25NO/c1-7-12(5)15-9-10-17(13(6)11(3)4)16(18)14(15)8-2/h7,9-11,13H,8H2,1-6H3/b12-7-
InChIKeyNCPQDXRVOFUASN-GHXNOFRVSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one (CID 163798146) is 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one is C/C=C(/C)c1ccn(C(C)C(C)C)c(=O)c1CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one?
The InChIKey is NCPQDXRVOFUASN-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H25NO/c1-7-12(5)15-9-10-17(13(6)11(3)4)16(18)14(15)8-2/h7,9-11,13H,8H2,1-6H3/b12-7-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one?
4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one has a molecular weight of 247.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-3-ethyl-1-(3-methylbutan-2-yl)pyridin-2-one is sourced from PubChem (CID 163798146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).