3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole

C15H18ClN — CID 142795938

IUPAC3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(C2CCC2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN/c1-11-9-17(14-3-2-4-14)10-15(11)12-5-7-13(16)8-6-12/h5-9,14-15H,2-4,10H2,1H3
InChIKeyWLVURKUTRDUJGU-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.20
Rot. Bonds2

About 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole

3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole (PubChem CID 142795938) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole
PubChem CID142795938
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(C2CCC2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN/c1-11-9-17(14-3-2-4-14)10-15(11)12-5-7-13(16)8-6-12/h5-9,14-15H,2-4,10H2,1H3
InChIKeyWLVURKUTRDUJGU-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole (CID 142795938) is 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole is CC1=CN(C2CCC2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole?
The InChIKey is WLVURKUTRDUJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-11-9-17(14-3-2-4-14)10-15(11)12-5-7-13(16)8-6-12/h5-9,14-15H,2-4,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole?
3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole has a molecular weight of 247.77 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclobutyl-4-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 142795938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).