2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole

C9H10BrN — CID 90462452

IUPAC2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
SMILESC=Cc1cc[nH]c1C(Br)=CC
InChIInChI=1S/C9H10BrN/c1-3-7-5-6-11-9(7)8(10)4-2/h3-6,11H,1H2,2H3
InChIKeySIMVKBUDEYIZSJ-UHFFFAOYSA-N
MW212.09 g/mol
LogP3.41
Rot. Bonds2

About 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole

2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole (PubChem CID 90462452) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
PubChem CID90462452
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
SMILESC=Cc1cc[nH]c1C(Br)=CC
InChIInChI=1S/C9H10BrN/c1-3-7-5-6-11-9(7)8(10)4-2/h3-6,11H,1H2,2H3
InChIKeySIMVKBUDEYIZSJ-UHFFFAOYSA-N
XLogP3.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole?
The IUPAC name of 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole (CID 90462452) is 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole.
What is the SMILES notation for 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole?
The canonical SMILES for 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole is C=Cc1cc[nH]c1C(Br)=CC.
What is the InChIKey of 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole?
The InChIKey is SIMVKBUDEYIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-3-7-5-6-11-9(7)8(10)4-2/h3-6,11H,1H2,2H3.
What are the key properties of 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole?
2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole has a molecular weight of 212.09 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole is sourced from PubChem (CID 90462452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).