2-(1-iodoethyl)-1H-pyrrole

C6H8IN — CID 152827752

IUPAC2-(1-iodoethyl)-1H-pyrrole
SMILESCC(I)c1ccc[nH]1
InChIInChI=1S/C6H8IN/c1-5(7)6-3-2-4-8-6/h2-5,8H,1H3
InChIKeySVKRPTMBHAQQET-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.51
Rot. Bonds1

About 2-(1-iodoethyl)-1H-pyrrole

2-(1-iodoethyl)-1H-pyrrole (PubChem CID 152827752) has the molecular formula C6H8IN and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(1-iodoethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-iodoethyl)-1H-pyrrole
PubChem CID152827752
Molecular FormulaC6H8IN
Molecular Weight221.04 g/mol
Exact Mass220.97
IUPAC Name2-(1-iodoethyl)-1H-pyrrole
SMILESCC(I)c1ccc[nH]1
InChIInChI=1S/C6H8IN/c1-5(7)6-3-2-4-8-6/h2-5,8H,1H3
InChIKeySVKRPTMBHAQQET-UHFFFAOYSA-N
XLogP2.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(1-iodoethyl)-1H-pyrrole 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-(1-iodoethyl)-1H-pyrrole?
The IUPAC name of 2-(1-iodoethyl)-1H-pyrrole (CID 152827752) is 2-(1-iodoethyl)-1H-pyrrole.
What is the SMILES notation for 2-(1-iodoethyl)-1H-pyrrole?
The canonical SMILES for 2-(1-iodoethyl)-1H-pyrrole is CC(I)c1ccc[nH]1.
What is the InChIKey of 2-(1-iodoethyl)-1H-pyrrole?
The InChIKey is SVKRPTMBHAQQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN/c1-5(7)6-3-2-4-8-6/h2-5,8H,1H3.
What are the key properties of 2-(1-iodoethyl)-1H-pyrrole?
2-(1-iodoethyl)-1H-pyrrole has a molecular weight of 221.04 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethyl)-1H-pyrrole is sourced from PubChem (CID 152827752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).