3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H18BrN — CID 10039287

IUPAC3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESBrc1ccccc1C1CCC2CCCCN21
InChIInChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-9-8-11-5-3-4-10-16(11)14/h1-2,6-7,11,14H,3-5,8-10H2
InChIKeyNYBDMYWOGLTJBP-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.14
Rot. Bonds1

About 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10039287) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10039287
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESBrc1ccccc1C1CCC2CCCCN21
InChIInChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-9-8-11-5-3-4-10-16(11)14/h1-2,6-7,11,14H,3-5,8-10H2
InChIKeyNYBDMYWOGLTJBP-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10039287) is 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is Brc1ccccc1C1CCC2CCCCN21.
What is the InChIKey of 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is NYBDMYWOGLTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-9-8-11-5-3-4-10-16(11)14/h1-2,6-7,11,14H,3-5,8-10H2.
What are the key properties of 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 280.21 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10039287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).