5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole

C11H12ClN — CID 102036798

IUPAC5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole
SMILESCN1CCC=C1c1ccccc1Cl
InChIInChI=1S/C11H12ClN/c1-13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-7H,4,8H2,1H3
InChIKeyPIBKAJFOAGBTTA-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.02
Rot. Bonds1

About 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole

5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole (PubChem CID 102036798) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole
PubChem CID102036798
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole
SMILESCN1CCC=C1c1ccccc1Cl
InChIInChI=1S/C11H12ClN/c1-13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-7H,4,8H2,1H3
InChIKeyPIBKAJFOAGBTTA-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole (CID 102036798) is 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole is CN1CCC=C1c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole?
The InChIKey is PIBKAJFOAGBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-13-8-4-7-11(13)9-5-2-3-6-10(9)12/h2-3,5-7H,4,8H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole?
5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole has a molecular weight of 193.68 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 102036798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).