2-(2,2-dibromoethenyl)-1-ethylpyrrole

C8H9Br2N — CID 130531986

IUPAC2-(2,2-dibromoethenyl)-1-ethylpyrrole
SMILESCCn1cccc1C=C(Br)Br
InChIInChI=1S/C8H9Br2N/c1-2-11-5-3-4-7(11)6-8(9)10/h3-6H,2H2,1H3
InChIKeyUIVMJEVNPXFFOP-UHFFFAOYSA-N
MW278.98 g/mol
LogP3.60
Rot. Bonds2

About 2-(2,2-dibromoethenyl)-1-ethylpyrrole

2-(2,2-dibromoethenyl)-1-ethylpyrrole (PubChem CID 130531986) has the molecular formula C8H9Br2N and a molecular weight of 278.98 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-1-ethylpyrrole.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-1-ethylpyrrole
PubChem CID130531986
Molecular FormulaC8H9Br2N
Molecular Weight278.98 g/mol
Exact Mass276.91
IUPAC Name2-(2,2-dibromoethenyl)-1-ethylpyrrole
SMILESCCn1cccc1C=C(Br)Br
InChIInChI=1S/C8H9Br2N/c1-2-11-5-3-4-7(11)6-8(9)10/h3-6H,2H2,1H3
InChIKeyUIVMJEVNPXFFOP-UHFFFAOYSA-N
XLogP3.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-1-ethylpyrrole?
The IUPAC name of 2-(2,2-dibromoethenyl)-1-ethylpyrrole (CID 130531986) is 2-(2,2-dibromoethenyl)-1-ethylpyrrole.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-1-ethylpyrrole?
The canonical SMILES for 2-(2,2-dibromoethenyl)-1-ethylpyrrole is CCn1cccc1C=C(Br)Br.
What is the InChIKey of 2-(2,2-dibromoethenyl)-1-ethylpyrrole?
The InChIKey is UIVMJEVNPXFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N/c1-2-11-5-3-4-7(11)6-8(9)10/h3-6H,2H2,1H3.
What are the key properties of 2-(2,2-dibromoethenyl)-1-ethylpyrrole?
2-(2,2-dibromoethenyl)-1-ethylpyrrole has a molecular weight of 278.98 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-1-ethylpyrrole is sourced from PubChem (CID 130531986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).