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

C14H19N — CID 13451069

IUPAC2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc(C2CC3CCCCN3C2)cc1
InChIInChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyJKECMGSANFSNJV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.03
Rot. Bonds1

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

2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 13451069) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID13451069
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc(C2CC3CCCCN3C2)cc1
InChIInChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyJKECMGSANFSNJV-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 13451069) is 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is c1ccc(C2CC3CCCCN3C2)cc1.
What is the InChIKey of 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is JKECMGSANFSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 201.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 13451069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).