2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C20H23N — CID 14906162

IUPAC2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc(C2CC3C(c4ccccc4)CCCN3C2)cc1
InChIInChI=1S/C20H23N/c1-3-8-16(9-4-1)18-14-20-19(12-7-13-21(20)15-18)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChIKeyKPPZRDIHYDLAQD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.42
Rot. Bonds2

About 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine

2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 14906162) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID14906162
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc(C2CC3C(c4ccccc4)CCCN3C2)cc1
InChIInChI=1S/C20H23N/c1-3-8-16(9-4-1)18-14-20-19(12-7-13-21(20)15-18)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChIKeyKPPZRDIHYDLAQD-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 14906162) is 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is c1ccc(C2CC3C(c4ccccc4)CCCN3C2)cc1.
What is the InChIKey of 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KPPZRDIHYDLAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-8-16(9-4-1)18-14-20-19(12-7-13-21(20)15-18)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2.
What are the key properties of 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 277.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 14906162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).