3-[(E)-1-phenylhex-1-enyl]pyridine

C17H19N — CID 67869388

IUPAC3-[(E)-1-phenylhex-1-enyl]pyridine
SMILESCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C17H19N/c1-2-3-5-12-17(15-9-6-4-7-10-15)16-11-8-13-18-14-16/h4,6-14H,2-3,5H2,1H3/b17-12+
InChIKeyHUPSIGJRUDUPAS-SFQUDFHCSA-N
MW237.35 g/mol
LogP4.70
Rot. Bonds5

About 3-[(E)-1-phenylhex-1-enyl]pyridine

3-[(E)-1-phenylhex-1-enyl]pyridine (PubChem CID 67869388) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(E)-1-phenylhex-1-enyl]pyridine.

Molecular Properties

Compound Name3-[(E)-1-phenylhex-1-enyl]pyridine
PubChem CID67869388
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-[(E)-1-phenylhex-1-enyl]pyridine
SMILESCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C17H19N/c1-2-3-5-12-17(15-9-6-4-7-10-15)16-11-8-13-18-14-16/h4,6-14H,2-3,5H2,1H3/b17-12+
InChIKeyHUPSIGJRUDUPAS-SFQUDFHCSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
(E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417319
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
methyl (E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoate
CID 86740123
2-(1-phenylhex-1-enyl)-1,3-thiazole
CID 71123881
N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
CID 67794925
(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10002804
O-[(E)-7-phenyl-7-pyridin-3-ylhept-6-enyl] N-phenylcarbamothioate
CID 13423327

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-phenylhex-1-enyl]pyridine?
The IUPAC name of 3-[(E)-1-phenylhex-1-enyl]pyridine (CID 67869388) is 3-[(E)-1-phenylhex-1-enyl]pyridine.
What is the SMILES notation for 3-[(E)-1-phenylhex-1-enyl]pyridine?
The canonical SMILES for 3-[(E)-1-phenylhex-1-enyl]pyridine is CCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of 3-[(E)-1-phenylhex-1-enyl]pyridine?
The InChIKey is HUPSIGJRUDUPAS-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H19N/c1-2-3-5-12-17(15-9-6-4-7-10-15)16-11-8-13-18-14-16/h4,6-14H,2-3,5H2,1H3/b17-12+.
What are the key properties of 3-[(E)-1-phenylhex-1-enyl]pyridine?
3-[(E)-1-phenylhex-1-enyl]pyridine has a molecular weight of 237.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-phenylhex-1-enyl]pyridine is sourced from PubChem (CID 67869388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).