2-ethyl-1H-pyrrole;hydrobromide

C6H10BrN — CID 174918112

IUPAC2-ethyl-1H-pyrrole;hydrobromide
SMILESBr.CCc1ccc[nH]1
InChIInChI=1S/C6H9N.BrH/c1-2-6-4-3-5-7-6;/h3-5,7H,2H2,1H3;1H
InChIKeyWCMVQTVCJLMFJZ-UHFFFAOYSA-N
MW176.06 g/mol
LogP2.15
Rot. Bonds1

About 2-ethyl-1H-pyrrole;hydrobromide

2-ethyl-1H-pyrrole;hydrobromide (PubChem CID 174918112) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is 2-ethyl-1H-pyrrole;hydrobromide.

Molecular Properties

Compound Name2-ethyl-1H-pyrrole;hydrobromide
PubChem CID174918112
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name2-ethyl-1H-pyrrole;hydrobromide
SMILESBr.CCc1ccc[nH]1
InChIInChI=1S/C6H9N.BrH/c1-2-6-4-3-5-7-6;/h3-5,7H,2H2,1H3;1H
InChIKeyWCMVQTVCJLMFJZ-UHFFFAOYSA-N
XLogP2.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-1H-pyrrole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-pyrrole;hydrobromide?
The IUPAC name of 2-ethyl-1H-pyrrole;hydrobromide (CID 174918112) is 2-ethyl-1H-pyrrole;hydrobromide.
What is the SMILES notation for 2-ethyl-1H-pyrrole;hydrobromide?
The canonical SMILES for 2-ethyl-1H-pyrrole;hydrobromide is Br.CCc1ccc[nH]1.
What is the InChIKey of 2-ethyl-1H-pyrrole;hydrobromide?
The InChIKey is WCMVQTVCJLMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.BrH/c1-2-6-4-3-5-7-6;/h3-5,7H,2H2,1H3;1H.
What are the key properties of 2-ethyl-1H-pyrrole;hydrobromide?
2-ethyl-1H-pyrrole;hydrobromide has a molecular weight of 176.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-pyrrole;hydrobromide is sourced from PubChem (CID 174918112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).