1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride

C20H22ClNO2 — CID 46703479

IUPAC1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO2.ClH/c22-20(23)18-14-21(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-12,18H,7,13-15H2,(H,22,23);1H
InChIKeyXCYNRHOPZUYYCU-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.95
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride

1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride (PubChem CID 46703479) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride
PubChem CID46703479
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO2.ClH/c22-20(23)18-14-21(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-12,18H,7,13-15H2,(H,22,23);1H
InChIKeyXCYNRHOPZUYYCU-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride (CID 46703479) is 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CN(CCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride?
The InChIKey is XCYNRHOPZUYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/c22-20(23)18-14-21(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17;/h1-6,8-12,18H,7,13-15H2,(H,22,23);1H.
What are the key properties of 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride?
1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)azetidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 46703479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).