3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine

C30H38Cl4N2 — CID 158299314

IUPAC3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine
SMILESClc1ccc(C2(C3CCNC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCNC3)CCCC2)cc1Cl
InChIInChI=1S/2C15H19Cl2N/c2*16-13-4-3-11(9-14(13)17)15(6-1-2-7-15)12-5-8-18-10-12/h2*3-4,9,12,18H,1-2,5-8,10H2
InChIKeyGMHPPXFDLIHHIC-UHFFFAOYSA-N
MW568.46 g/mol
LogP8.83
Rot. Bonds4

About 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine

3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine (PubChem CID 158299314) has the molecular formula C30H38Cl4N2 and a molecular weight of 568.46 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine
PubChem CID158299314
Molecular FormulaC30H38Cl4N2
Molecular Weight568.46 g/mol
Exact Mass566.18
IUPAC Name3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine
SMILESClc1ccc(C2(C3CCNC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCNC3)CCCC2)cc1Cl
InChIInChI=1S/2C15H19Cl2N/c2*16-13-4-3-11(9-14(13)17)15(6-1-2-7-15)12-5-8-18-10-12/h2*3-4,9,12,18H,1-2,5-8,10H2
InChIKeyGMHPPXFDLIHHIC-UHFFFAOYSA-N
XLogP8.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.46
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-7a-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 46701086
(3aS,7aR)-7a-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 46701087
(cis)-1-(3,4-Dichlorophenyl)-6-phenyl-3-aza-bicyclo[3.1.0]hexane
CID 44561169
(3aS,7aS)-7a-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392848
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
(3aS,7aS)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392852
(3aR,6aS)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
CID 56666282
2-[1-(3,4-Dichlorophenyl)cyclohexyl]pyrrolidine
CID 58954890
2-(3,4-Dichlorophenyl)-4-azatricyclo[5.2.1.02,6]decane
CID 13519548
3a-(3,4-Dichlorophenyl)octahydro-4,7-methano-1H-isoindole hydrochloride
CID 13519549
3a-(3,4-dichlorophenyl)octahydro-4,7-methano-1H-isoindole hydrobromide
CID 13519550
(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]
CID 15870816

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine (CID 158299314) is 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine is Clc1ccc(C2(C3CCNC3)CCCC2)cc1Cl.Clc1ccc(C2(C3CCNC3)CCCC2)cc1Cl.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine?
The InChIKey is GMHPPXFDLIHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19Cl2N/c2*16-13-4-3-11(9-14(13)17)15(6-1-2-7-15)12-5-8-18-10-12/h2*3-4,9,12,18H,1-2,5-8,10H2.
What are the key properties of 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine?
3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine has a molecular weight of 568.46 g/mol, XLogP of 8.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dichlorophenyl)cyclopentyl]pyrrolidine is sourced from PubChem (CID 158299314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).