2-bromo-1-tert-butylpyrrole

C8H12BrN — CID 146376893

IUPAC2-bromo-1-tert-butylpyrrole
SMILESCC(C)(C)n1cccc1Br
InChIInChI=1S/C8H12BrN/c1-8(2,3)10-6-4-5-7(10)9/h4-6H,1-3H3
InChIKeyDEORSNJESJHJMM-UHFFFAOYSA-N
MW202.09 g/mol
LogP3.01
Rot. Bonds

About 2-bromo-1-tert-butylpyrrole

2-bromo-1-tert-butylpyrrole (PubChem CID 146376893) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 2-bromo-1-tert-butylpyrrole.

Molecular Properties

Compound Name2-bromo-1-tert-butylpyrrole
PubChem CID146376893
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name2-bromo-1-tert-butylpyrrole
SMILESCC(C)(C)n1cccc1Br
InChIInChI=1S/C8H12BrN/c1-8(2,3)10-6-4-5-7(10)9/h4-6H,1-3H3
InChIKeyDEORSNJESJHJMM-UHFFFAOYSA-N
XLogP3.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45088224
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1-tert-butyl-2-octylpyrrole;hydrobromide
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(3S)-3-amino-3-(1-tert-butylpyrrol-2-yl)propanenitrile
CID 130614434
2,3-dimethyl-3-(2-methylpyrrol-1-yl)butan-2-amine
CID 158729369
2-bromo-1-tert-butyl-5-iodopyrrole
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1-tert-butylindol-4-ol
CID 135393981
1-(3-methylpentan-3-yl)pyrrole-2-carbaldehyde
CID 106330661
1-tert-butyl-2-methoxy-3-methylpyrrole
CID 146378301
5-bromo-1-tert-butyl-4-chloroimidazole
CID 129303240
1,4-ditert-butyl-2,3-dihydroindole
CID 59448208
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-tert-butylpyrrole?
The IUPAC name of 2-bromo-1-tert-butylpyrrole (CID 146376893) is 2-bromo-1-tert-butylpyrrole.
What is the SMILES notation for 2-bromo-1-tert-butylpyrrole?
The canonical SMILES for 2-bromo-1-tert-butylpyrrole is CC(C)(C)n1cccc1Br.
What is the InChIKey of 2-bromo-1-tert-butylpyrrole?
The InChIKey is DEORSNJESJHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-8(2,3)10-6-4-5-7(10)9/h4-6H,1-3H3.
What are the key properties of 2-bromo-1-tert-butylpyrrole?
2-bromo-1-tert-butylpyrrole has a molecular weight of 202.09 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-tert-butylpyrrole is sourced from PubChem (CID 146376893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).