3-bromo-1-cyclohexylpyrrole

C10H14BrN — CID 130138596

IUPAC3-bromo-1-cyclohexylpyrrole
SMILESBrc1ccn(C2CCCCC2)c1
InChIInChI=1S/C10H14BrN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyJAIJZXICOAPZDT-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-1-cyclohexylpyrrole

3-bromo-1-cyclohexylpyrrole (PubChem CID 130138596) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 3-bromo-1-cyclohexylpyrrole.

Molecular Properties

Compound Name3-bromo-1-cyclohexylpyrrole
PubChem CID130138596
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name3-bromo-1-cyclohexylpyrrole
SMILESBrc1ccn(C2CCCCC2)c1
InChIInChI=1S/C10H14BrN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyJAIJZXICOAPZDT-UHFFFAOYSA-N
XLogP3.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(1-cyclohexylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
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CID 50854111
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclohexylpyrrole?
The IUPAC name of 3-bromo-1-cyclohexylpyrrole (CID 130138596) is 3-bromo-1-cyclohexylpyrrole.
What is the SMILES notation for 3-bromo-1-cyclohexylpyrrole?
The canonical SMILES for 3-bromo-1-cyclohexylpyrrole is Brc1ccn(C2CCCCC2)c1.
What is the InChIKey of 3-bromo-1-cyclohexylpyrrole?
The InChIKey is JAIJZXICOAPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of 3-bromo-1-cyclohexylpyrrole?
3-bromo-1-cyclohexylpyrrole has a molecular weight of 228.13 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclohexylpyrrole is sourced from PubChem (CID 130138596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).