8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

C14H18BrN — CID 117274099

IUPAC8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESBrc1ccccc1C12CCCCN1CCC2
InChIInChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-8-3-4-10-16(14)11-5-9-14/h1-2,6-7H,3-5,8-11H2
InChIKeyPFVYTJCNTXWDJD-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.92
Rot. Bonds1

About 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine

8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 117274099) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID117274099
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESBrc1ccccc1C12CCCCN1CCC2
InChIInChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-8-3-4-10-16(14)11-5-9-14/h1-2,6-7H,3-5,8-11H2
InChIKeyPFVYTJCNTXWDJD-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 117274099) is 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is Brc1ccccc1C12CCCCN1CCC2.
What is the InChIKey of 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is PFVYTJCNTXWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-8-3-4-10-16(14)11-5-9-14/h1-2,6-7H,3-5,8-11H2.
What are the key properties of 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine?
8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 280.21 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 117274099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).