1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine

C18H19NS — CID 67582460

IUPAC1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(/C=C/c2ccsc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19NS/c1-2-4-17(5-3-1)14-19-11-8-16(9-12-19)6-7-18-10-13-20-15-18/h1-8,10,13,15H,9,11-12,14H2/b7-6+
InChIKeyPXMUZFFIDDEQRE-VOTSOKGWSA-N
MW281.42 g/mol
LogP4.59
Rot. Bonds4

About 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine

1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 67582460) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
PubChem CID67582460
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(/C=C/c2ccsc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19NS/c1-2-4-17(5-3-1)14-19-11-8-16(9-12-19)6-7-18-10-13-20-15-18/h1-8,10,13,15H,9,11-12,14H2/b7-6+
InChIKeyPXMUZFFIDDEQRE-VOTSOKGWSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
bis(1-benzyl-4-[2-(3,4-difluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine);hydrate;dihydrochloride
CID 173303356
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
CID 54335100
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
(E)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 8849909

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine (CID 67582460) is 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine is C1=C(/C=C/c2ccsc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is PXMUZFFIDDEQRE-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H19NS/c1-2-4-17(5-3-1)14-19-11-8-16(9-12-19)6-7-18-10-13-20-15-18/h1-8,10,13,15H,9,11-12,14H2/b7-6+.
What are the key properties of 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine?
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 281.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).