5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole

C11H12BrN — CID 135067592

IUPAC5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
SMILESBrc1ccccc1CC1=NCCC1
InChIInChI=1S/C11H12BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6H,3,5,7-8H2
InChIKeyGUSYKHWJBLYMMH-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.23
Rot. Bonds2

About 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole

5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole (PubChem CID 135067592) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
PubChem CID135067592
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
SMILESBrc1ccccc1CC1=NCCC1
InChIInChI=1S/C11H12BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6H,3,5,7-8H2
InChIKeyGUSYKHWJBLYMMH-UHFFFAOYSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3,5-Dibromophenyl)-2,3,4,5-tetrahydropyridine
CID 127026745
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
5-benzyl-3,4-dihydro-2H-pyrrole
CID 224018
Benzene, 1-bromo-2-(2-isocyanatopropyl)-
CID 71755447
1-Bromo-2-(2-isocyanoethyl)benzene
CID 83485912
1-Bromo-2-(2-isocyanatobutyl)benzene
CID 86775144
(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 139182438
(1E)-2-(2-bromophenyl)-1-cyclohexyl-1-azaethene
CID 759356
2-Phenethyl-1-pyrroline
CID 10954004
4,4-Dibromo-5-phenyl-2,3-dihydropyrrole
CID 85724414
4,4-Dibromo-5-(4-methylphenyl)-2,3-dihydropyrrole
CID 85724416

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole (CID 135067592) is 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole is Brc1ccccc1CC1=NCCC1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is GUSYKHWJBLYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6H,3,5,7-8H2.
What are the key properties of 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole?
5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 238.13 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 135067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).