3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one

C16H20FNO — CID 177235551

IUPAC3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one
SMILESCCC/C=C/C(C)=C/C=C(\C)n1cccc(F)c1=O
InChIInChI=1S/C16H20FNO/c1-4-5-6-8-13(2)10-11-14(3)18-12-7-9-15(17)16(18)19/h6-12H,4-5H2,1-3H3/b8-6+,13-10?,14-11+
InChIKeyLQYLXUWGCSXNAN-UXJUEDRXSA-N
MW261.34 g/mol
LogP4.15
Rot. Bonds5

About 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one

3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one (PubChem CID 177235551) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one
PubChem CID177235551
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one
SMILESCCC/C=C/C(C)=C/C=C(\C)n1cccc(F)c1=O
InChIInChI=1S/C16H20FNO/c1-4-5-6-8-13(2)10-11-14(3)18-12-7-9-15(17)16(18)19/h6-12H,4-5H2,1-3H3/b8-6+,13-10?,14-11+
InChIKeyLQYLXUWGCSXNAN-UXJUEDRXSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014
1,4-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 22382050

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one?
The IUPAC name of 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one (CID 177235551) is 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one?
The canonical SMILES for 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one is CCC/C=C/C(C)=C/C=C(\C)n1cccc(F)c1=O.
What is the InChIKey of 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one?
The InChIKey is LQYLXUWGCSXNAN-UXJUEDRXSA-N. The full InChI is InChI=1S/C16H20FNO/c1-4-5-6-8-13(2)10-11-14(3)18-12-7-9-15(17)16(18)19/h6-12H,4-5H2,1-3H3/b8-6+,13-10?,14-11+.
What are the key properties of 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one?
3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one has a molecular weight of 261.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one is sourced from PubChem (CID 177235551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).