4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole

C10H8Cl3N — CID 11010330

IUPAC4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
SMILESClc1ccc(C2=NCCC2(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl3N/c11-8-3-1-7(2-4-8)9-10(12,13)5-6-14-9/h1-4H,5-6H2
InChIKeyCERKWCASYPHPSW-UHFFFAOYSA-N
MW248.54 g/mol
LogP3.71
Rot. Bonds1

About 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole

4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole (PubChem CID 11010330) has the molecular formula C10H8Cl3N and a molecular weight of 248.54 g/mol. Its IUPAC name is 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
PubChem CID11010330
Molecular FormulaC10H8Cl3N
Molecular Weight248.54 g/mol
Exact Mass246.97
IUPAC Name4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
SMILESClc1ccc(C2=NCCC2(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl3N/c11-8-3-1-7(2-4-8)9-10(12,13)5-6-14-9/h1-4H,5-6H2
InChIKeyCERKWCASYPHPSW-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
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Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole?
The IUPAC name of 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole (CID 11010330) is 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole?
The canonical SMILES for 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole is Clc1ccc(C2=NCCC2(Cl)Cl)cc1.
What is the InChIKey of 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole?
The InChIKey is CERKWCASYPHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N/c11-8-3-1-7(2-4-8)9-10(12,13)5-6-14-9/h1-4H,5-6H2.
What are the key properties of 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole?
4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole has a molecular weight of 248.54 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 11010330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).