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

C16H20FN — CID 156800339

IUPAC6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1C
InChIInChI=1S/C16H20FN/c1-4-16-15(6-5-11-18(16)3)12(2)13-7-9-14(17)10-8-13/h4,7,9H,1-2,5-6,8,10-11H2,3H3
InChIKeyQAZZGLKSVXBUBB-UHFFFAOYSA-N
MW245.34 g/mol
LogP4.28
Rot. Bonds3

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

6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 156800339) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID156800339
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1C
InChIInChI=1S/C16H20FN/c1-4-16-15(6-5-11-18(16)3)12(2)13-7-9-14(17)10-8-13/h4,7,9H,1-2,5-6,8,10-11H2,3H3
InChIKeyQAZZGLKSVXBUBB-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine (CID 156800339) is 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine is C=CC1=C(C(=C)C2=CC=C(F)CC2)CCCN1C.
What is the InChIKey of 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is QAZZGLKSVXBUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-4-16-15(6-5-11-18(16)3)12(2)13-7-9-14(17)10-8-13/h4,7,9H,1-2,5-6,8,10-11H2,3H3.
What are the key properties of 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine?
6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 245.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 156800339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).