1-(2-bromoethyl)-2-methylpyrrole

C7H10BrN — CID 14613880

IUPAC1-(2-bromoethyl)-2-methylpyrrole
SMILESCc1cccn1CCBr
InChIInChI=1S/C7H10BrN/c1-7-3-2-5-9(7)6-4-8/h2-3,5H,4,6H2,1H3
InChIKeyBCWAWFZOAIHCPB-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-bromoethyl)-2-methylpyrrole

1-(2-bromoethyl)-2-methylpyrrole (PubChem CID 14613880) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-methylpyrrole.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-methylpyrrole
PubChem CID14613880
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name1-(2-bromoethyl)-2-methylpyrrole
SMILESCc1cccn1CCBr
InChIInChI=1S/C7H10BrN/c1-7-3-2-5-9(7)6-4-8/h2-3,5H,4,6H2,1H3
InChIKeyBCWAWFZOAIHCPB-UHFFFAOYSA-N
XLogP2.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.19
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-(2-bromoethyl)-2-methylpyrrole?
The IUPAC name of 1-(2-bromoethyl)-2-methylpyrrole (CID 14613880) is 1-(2-bromoethyl)-2-methylpyrrole.
What is the SMILES notation for 1-(2-bromoethyl)-2-methylpyrrole?
The canonical SMILES for 1-(2-bromoethyl)-2-methylpyrrole is Cc1cccn1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-methylpyrrole?
The InChIKey is BCWAWFZOAIHCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-7-3-2-5-9(7)6-4-8/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-2-methylpyrrole?
1-(2-bromoethyl)-2-methylpyrrole has a molecular weight of 188.07 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-methylpyrrole is sourced from PubChem (CID 14613880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).