1-bromo-1,2,3,5-tetrahydroindolizine

C8H10BrN — CID 140516225

IUPAC1-bromo-1,2,3,5-tetrahydroindolizine
SMILESBrC1CCN2CC=CC=C12
InChIInChI=1S/C8H10BrN/c9-7-4-6-10-5-2-1-3-8(7)10/h1-3,7H,4-6H2
InChIKeyMSXUCQZVVHEJHW-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.91
Rot. Bonds

About 1-bromo-1,2,3,5-tetrahydroindolizine

1-bromo-1,2,3,5-tetrahydroindolizine (PubChem CID 140516225) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 1-bromo-1,2,3,5-tetrahydroindolizine.

Molecular Properties

Compound Name1-bromo-1,2,3,5-tetrahydroindolizine
PubChem CID140516225
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name1-bromo-1,2,3,5-tetrahydroindolizine
SMILESBrC1CCN2CC=CC=C12
InChIInChI=1S/C8H10BrN/c9-7-4-6-10-5-2-1-3-8(7)10/h1-3,7H,4-6H2
InChIKeyMSXUCQZVVHEJHW-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2,3,5-tetrahydroindolizine?
The IUPAC name of 1-bromo-1,2,3,5-tetrahydroindolizine (CID 140516225) is 1-bromo-1,2,3,5-tetrahydroindolizine.
What is the SMILES notation for 1-bromo-1,2,3,5-tetrahydroindolizine?
The canonical SMILES for 1-bromo-1,2,3,5-tetrahydroindolizine is BrC1CCN2CC=CC=C12.
What is the InChIKey of 1-bromo-1,2,3,5-tetrahydroindolizine?
The InChIKey is MSXUCQZVVHEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c9-7-4-6-10-5-2-1-3-8(7)10/h1-3,7H,4-6H2.
What are the key properties of 1-bromo-1,2,3,5-tetrahydroindolizine?
1-bromo-1,2,3,5-tetrahydroindolizine has a molecular weight of 200.08 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2,3,5-tetrahydroindolizine is sourced from PubChem (CID 140516225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).