6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine

C17H22FN — CID 156800392

IUPAC6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1CC
InChIInChI=1S/C17H22FN/c1-4-17-16(7-6-12-19(17)5-2)13(3)14-8-10-15(18)11-9-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3
InChIKeyLGEBUHUPZPVDGC-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.67
Rot. Bonds4

About 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine

6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine (PubChem CID 156800392) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
PubChem CID156800392
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1CC
InChIInChI=1S/C17H22FN/c1-4-17-16(7-6-12-19(17)5-2)13(3)14-8-10-15(18)11-9-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3
InChIKeyLGEBUHUPZPVDGC-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine (CID 156800392) is 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine is C=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1CC.
What is the InChIKey of 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine?
The InChIKey is LGEBUHUPZPVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-4-17-16(7-6-12-19(17)5-2)13(3)14-8-10-15(18)11-9-14/h4,8,10H,1,3,5-7,9,11-12H2,2H3.
What are the key properties of 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine?
6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine has a molecular weight of 259.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 156800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).