1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one

C15H22FNO — CID 177029772

IUPAC1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one
SMILESCCCC(F)C/C=C/Cc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H22FNO/c1-3-7-14(16)9-6-5-8-13-10-11-15(18)17(4-2)12-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyVTFJFPUZKBUQNT-AATRIKPKSA-N
MW251.35 g/mol
LogP3.50
Rot. Bonds7

About 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one

1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one (PubChem CID 177029772) has the molecular formula C15H22FNO and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one
PubChem CID177029772
Molecular FormulaC15H22FNO
Molecular Weight251.35 g/mol
Exact Mass251.17
IUPAC Name1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one
SMILESCCCC(F)C/C=C/Cc1ccc(=O)n(CC)c1
InChIInChI=1S/C15H22FNO/c1-3-7-14(16)9-6-5-8-13-10-11-15(18)17(4-2)12-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/b6-5+
InChIKeyVTFJFPUZKBUQNT-AATRIKPKSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 14427406
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 72731315
2-Ethylisoquinolin-3-one
CID 12435499
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-Ethyl-5-fluoro-4-hexyl-6-hydroxypyridin-2-one
CID 21441403
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 58450097
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
3-Fluoro-1,5-dimethylpyridin-2-one
CID 66924423
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one (CID 177029772) is 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one is CCCC(F)C/C=C/Cc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one?
The InChIKey is VTFJFPUZKBUQNT-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-7-14(16)9-6-5-8-13-10-11-15(18)17(4-2)12-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/b6-5+.
What are the key properties of 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one?
1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one has a molecular weight of 251.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(E)-5-fluorooct-2-enyl]pyridin-2-one is sourced from PubChem (CID 177029772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).