5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole

C10H10ClN — CID 11019446

IUPAC5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESClc1ccc(C2=NCCC2)cc1
InChIInChI=1S/C10H10ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6H,1-2,7H2
InChIKeyRMQRHIVCPGFNHY-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.92
Rot. Bonds1

About 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole

5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 11019446) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID11019446
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESClc1ccc(C2=NCCC2)cc1
InChIInChI=1S/C10H10ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6H,1-2,7H2
InChIKeyRMQRHIVCPGFNHY-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole (CID 11019446) is 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole is Clc1ccc(C2=NCCC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is RMQRHIVCPGFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6H,1-2,7H2.
What are the key properties of 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole?
5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 179.65 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11019446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).