1-benzyl-2,5-dichloropyrrole

C11H9Cl2N — CID 12713084

IUPAC1-benzyl-2,5-dichloropyrrole
SMILESClc1ccc(Cl)n1Cc1ccccc1
InChIInChI=1S/C11H9Cl2N/c12-10-6-7-11(13)14(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWFHNOHAFJPVFDX-UHFFFAOYSA-N
MW226.11 g/mol
LogP3.84
Rot. Bonds2

About 1-benzyl-2,5-dichloropyrrole

1-benzyl-2,5-dichloropyrrole (PubChem CID 12713084) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-benzyl-2,5-dichloropyrrole.

Molecular Properties

Compound Name1-benzyl-2,5-dichloropyrrole
PubChem CID12713084
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name1-benzyl-2,5-dichloropyrrole
SMILESClc1ccc(Cl)n1Cc1ccccc1
InChIInChI=1S/C11H9Cl2N/c12-10-6-7-11(13)14(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWFHNOHAFJPVFDX-UHFFFAOYSA-N
XLogP3.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-chloropyrrole-2-carbaldehyde
CID 14686207
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CID 15072584
1-benzyl-2,5-dimethylpyrrole;ethane
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2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-benzyl-2-chlorobenzimidazole
CID 3821987
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
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1-benzyl-2,3,5-tribromopyrrole
CID 12713073

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dichloropyrrole?
The IUPAC name of 1-benzyl-2,5-dichloropyrrole (CID 12713084) is 1-benzyl-2,5-dichloropyrrole.
What is the SMILES notation for 1-benzyl-2,5-dichloropyrrole?
The canonical SMILES for 1-benzyl-2,5-dichloropyrrole is Clc1ccc(Cl)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dichloropyrrole?
The InChIKey is WFHNOHAFJPVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c12-10-6-7-11(13)14(10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzyl-2,5-dichloropyrrole?
1-benzyl-2,5-dichloropyrrole has a molecular weight of 226.11 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dichloropyrrole is sourced from PubChem (CID 12713084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).