5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C22H29N3 — CID 15546220

About 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 15546220) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

• Compound Name: 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
• PubChem CID: 15546220
• Molecular Formula: C22H29N3
• Molecular Weight: 335.50 g/mol
• Exact Mass: 335.24
• IUPAC Name: 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
• SMILES: CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN4CCC[C@@H]4C3)cc12
• InChI: InChI=1S/C22H29N3/c1-24-9-2-4-19(24)13-18-15-23-22-7-6-16(14-21(18)22)17-8-11-25-10-3-5-20(25)12-17/h6-8,14-15,19-20,23H,2-5,9-13H2,1H3/t19-,20-/m1/s1
• InChIKey: NNNAPJDUWDUOQO-WOJBJXKFSA-N
• XLogP: 4.06
• TPSA: 22.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?

The IUPAC name of 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 15546220) is 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

What is the SMILES notation for 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?

The canonical SMILES for 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN4CCC[C@@H]4C3)cc12.

What is the InChIKey of 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?

The InChIKey is NNNAPJDUWDUOQO-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H29N3/c1-24-9-2-4-19(24)13-18-15-23-22-7-6-16(14-21(18)22)17-8-11-25-10-3-5-20(25)12-17/h6-8,14-15,19-20,23H,2-5,9-13H2,1H3/t19-,20-/m1/s1.

What are the key properties of 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?

5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 335.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 15546220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).