5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole

C23H24N2 — CID 54335100

IUPAC5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
SMILESCn1ccc2cc(C=CC3=CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H24N2/c1-24-14-13-22-17-20(9-10-23(22)24)8-7-19-11-15-25(16-12-19)18-21-5-3-2-4-6-21/h2-11,13-14,17H,12,15-16,18H2,1H3
InChIKeyTUXHZYADWQVVOE-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.02
Rot. Bonds4

About 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole

5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole (PubChem CID 54335100) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
PubChem CID54335100
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
SMILESCn1ccc2cc(C=CC3=CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H24N2/c1-24-14-13-22-17-20(9-10-23(22)24)8-7-19-11-15-25(16-12-19)18-21-5-3-2-4-6-21/h2-11,13-14,17H,12,15-16,18H2,1H3
InChIKeyTUXHZYADWQVVOE-UHFFFAOYSA-N
XLogP5.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.02
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-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
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
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
CID 67582460
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
(1S)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 40501801
1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 22914752
1-methyl-N-(2-phenylethyl)indol-5-amine
CID 82539257

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole?
The IUPAC name of 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole (CID 54335100) is 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole.
What is the SMILES notation for 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole?
The canonical SMILES for 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole is Cn1ccc2cc(C=CC3=CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole?
The InChIKey is TUXHZYADWQVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-24-14-13-22-17-20(9-10-23(22)24)8-7-19-11-15-25(16-12-19)18-21-5-3-2-4-6-21/h2-11,13-14,17H,12,15-16,18H2,1H3.
What are the key properties of 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole?
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole has a molecular weight of 328.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole is sourced from PubChem (CID 54335100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).