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

C20H23BrClN — CID 122236711

IUPAC1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide
SMILESBr.Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22ClN.BrH/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;1H/b19-12-;
InChIKeyCHTNIZRRBLLLRO-JHMJKTBASA-N
MW392.77 g/mol
LogP5.64
Rot. Bonds5

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

1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide (PubChem CID 122236711) has the molecular formula C20H23BrClN and a molecular weight of 392.77 g/mol. Its IUPAC name is 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide.

Molecular Properties

Compound Name1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide
PubChem CID122236711
Molecular FormulaC20H23BrClN
Molecular Weight392.77 g/mol
Exact Mass391.07
IUPAC Name1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide
SMILESBr.Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22ClN.BrH/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;1H/b19-12-;
InChIKeyCHTNIZRRBLLLRO-JHMJKTBASA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.77
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;phosphoric acid
CID 20838019
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 70976517
CID 500314
CID 500314
1-(4-chlorophenyl)-2-phenylethanethione
CID 87616376
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
(E)-1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-3-phenylbut-2-en-1-one
CID 110617854
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
(E)-3-(4-chlorophenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 68820584
1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide?
The IUPAC name of 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide (CID 122236711) is 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide.
What is the SMILES notation for 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide?
The canonical SMILES for 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide is Br.Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide?
The InChIKey is CHTNIZRRBLLLRO-JHMJKTBASA-N. The full InChI is InChI=1S/C20H22ClN.BrH/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;1H/b19-12-;.
What are the key properties of 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide?
1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide has a molecular weight of 392.77 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;hydrobromide is sourced from PubChem (CID 122236711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).