6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one

C16H20FNO — CID 143818445

IUPAC6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one
SMILESC=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C)c1=O
InChIInChI=1S/C16H20FNO/c1-6-15-10-8-12(3)16(19)18(15)14(5)11(2)7-9-13(4)17/h7-10,14H,2,4,6H2,1,3,5H3/b9-7-
InChIKeyJOINHGTZMSTZQO-CLFYSBASSA-N
MW261.34 g/mol
LogP3.88
Rot. Bonds5

About 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one

6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one (PubChem CID 143818445) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one
PubChem CID143818445
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one
SMILESC=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C)c1=O
InChIInChI=1S/C16H20FNO/c1-6-15-10-8-12(3)16(19)18(15)14(5)11(2)7-9-13(4)17/h7-10,14H,2,4,6H2,1,3,5H3/b9-7-
InChIKeyJOINHGTZMSTZQO-CLFYSBASSA-N
XLogP3.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one?
The IUPAC name of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one (CID 143818445) is 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one.
What is the SMILES notation for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one?
The canonical SMILES for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one is C=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C)c1=O.
What is the InChIKey of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one?
The InChIKey is JOINHGTZMSTZQO-CLFYSBASSA-N. The full InChI is InChI=1S/C16H20FNO/c1-6-15-10-8-12(3)16(19)18(15)14(5)11(2)7-9-13(4)17/h7-10,14H,2,4,6H2,1,3,5H3/b9-7-.
What are the key properties of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one?
6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one has a molecular weight of 261.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one is sourced from PubChem (CID 143818445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).