4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole

C23H24N2 — CID 70484257

IUPAC4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole
SMILESCc1ccccc1C1=CCNC(CC=Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C23H24N2/c1-17-6-2-3-10-21(17)19-12-14-24-20(16-19)9-4-7-18-8-5-11-23-22(18)13-15-25-23/h2-8,10-13,15,20,24-25H,9,14,16H2,1H3
InChIKeyJQIXBRGVZSKKNU-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.33
Rot. Bonds4

About 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole

4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole (PubChem CID 70484257) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole.

Molecular Properties

Compound Name4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole
PubChem CID70484257
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole
SMILESCc1ccccc1C1=CCNC(CC=Cc2cccc3[nH]ccc23)C1
InChIInChI=1S/C23H24N2/c1-17-6-2-3-10-21(17)19-12-14-24-20(16-19)9-4-7-18-8-5-11-23-22(18)13-15-25-23/h2-8,10-13,15,20,24-25H,9,14,16H2,1H3
InChIKeyJQIXBRGVZSKKNU-UHFFFAOYSA-N
XLogP5.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole?
The IUPAC name of 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole (CID 70484257) is 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole.
What is the SMILES notation for 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole?
The canonical SMILES for 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole is Cc1ccccc1C1=CCNC(CC=Cc2cccc3[nH]ccc23)C1.
What is the InChIKey of 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole?
The InChIKey is JQIXBRGVZSKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-17-6-2-3-10-21(17)19-12-14-24-20(16-19)9-4-7-18-8-5-11-23-22(18)13-15-25-23/h2-8,10-13,15,20,24-25H,9,14,16H2,1H3.
What are the key properties of 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole?
4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole has a molecular weight of 328.46 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]prop-1-enyl]-1H-indole is sourced from PubChem (CID 70484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).