1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine

C20H22ClN — CID 8669

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IUPAC1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
SMILESClc1ccc(CC(=CCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2
InChIKeyWDYYVNNRTDZKAZ-UHFFFAOYSA-N
MW311.86 g/mol
LogP5.06
Rot. Bonds5

About 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine

1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine (PubChem CID 8669) has the molecular formula C20H22ClN and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
PubChem CID8669
Molecular FormulaC20H22ClN
Molecular Weight311.86 g/mol
Exact Mass311.14
IUPAC Name1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
SMILESClc1ccc(CC(=CCN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2
InChIKeyWDYYVNNRTDZKAZ-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.86
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Clofilium
CID 2798
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
3-(4-Chlorophenyl)-2-nortropene
CID 9859279
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
Pridefine Hydrochloride
CID 31739
Pridefine
CID 31740
(2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335535
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((E)-styryl)-8-aza-bicyclo[3.2.1]octane
CID 44335538
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44335593
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-((Z)-styryl)-8-aza-bicyclo[3.2.1]octane
CID 44335604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine?
The IUPAC name of 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine (CID 8669) is 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine is Clc1ccc(CC(=CCN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine?
The InChIKey is WDYYVNNRTDZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2.
What are the key properties of 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine?
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine has a molecular weight of 311.86 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine is sourced from PubChem (CID 8669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).