3-bromo-2-propan-2-ylindolizine

C11H12BrN — CID 82274930

IUPAC3-bromo-2-propan-2-ylindolizine
SMILESCC(C)c1cc2ccccn2c1Br
InChIInChI=1S/C11H12BrN/c1-8(2)10-7-9-5-3-4-6-13(9)11(10)12/h3-8H,1-2H3
InChIKeyVJCBDUDMHVZXPX-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.83
Rot. Bonds1

About 3-bromo-2-propan-2-ylindolizine

3-bromo-2-propan-2-ylindolizine (PubChem CID 82274930) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 3-bromo-2-propan-2-ylindolizine.

Molecular Properties

Compound Name3-bromo-2-propan-2-ylindolizine
PubChem CID82274930
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name3-bromo-2-propan-2-ylindolizine
SMILESCC(C)c1cc2ccccn2c1Br
InChIInChI=1S/C11H12BrN/c1-8(2)10-7-9-5-3-4-6-13(9)11(10)12/h3-8H,1-2H3
InChIKeyVJCBDUDMHVZXPX-UHFFFAOYSA-N
XLogP3.83
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-propan-2-ylindolizine?
The IUPAC name of 3-bromo-2-propan-2-ylindolizine (CID 82274930) is 3-bromo-2-propan-2-ylindolizine.
What is the SMILES notation for 3-bromo-2-propan-2-ylindolizine?
The canonical SMILES for 3-bromo-2-propan-2-ylindolizine is CC(C)c1cc2ccccn2c1Br.
What is the InChIKey of 3-bromo-2-propan-2-ylindolizine?
The InChIKey is VJCBDUDMHVZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-8(2)10-7-9-5-3-4-6-13(9)11(10)12/h3-8H,1-2H3.
What are the key properties of 3-bromo-2-propan-2-ylindolizine?
3-bromo-2-propan-2-ylindolizine has a molecular weight of 238.13 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-propan-2-ylindolizine is sourced from PubChem (CID 82274930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).