3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine

C24H22N2 — CID 174633829

IUPAC3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine
SMILESc1ccc(-c2cc3ccccn3c2CCN2CCc3ccccc32)cc1
InChIInChI=1S/C24H22N2/c1-2-8-19(9-3-1)22-18-21-11-6-7-15-26(21)24(22)14-17-25-16-13-20-10-4-5-12-23(20)25/h1-12,15,18H,13-14,16-17H2
InChIKeyRATGALFHCSMOJJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.21
Rot. Bonds4

About 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine

3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine (PubChem CID 174633829) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine
PubChem CID174633829
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine
SMILESc1ccc(-c2cc3ccccn3c2CCN2CCc3ccccc32)cc1
InChIInChI=1S/C24H22N2/c1-2-8-19(9-3-1)22-18-21-11-6-7-15-26(21)24(22)14-17-25-16-13-20-10-4-5-12-23(20)25/h1-12,15,18H,13-14,16-17H2
InChIKeyRATGALFHCSMOJJ-UHFFFAOYSA-N
XLogP5.21
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine (CID 174633829) is 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine is c1ccc(-c2cc3ccccn3c2CCN2CCc3ccccc32)cc1.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine?
The InChIKey is RATGALFHCSMOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-2-8-19(9-3-1)22-18-21-11-6-7-15-26(21)24(22)14-17-25-16-13-20-10-4-5-12-23(20)25/h1-12,15,18H,13-14,16-17H2.
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine?
3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine has a molecular weight of 338.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylindolizine is sourced from PubChem (CID 174633829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).