2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride

C21H24ClNO2 — CID 46703625

IUPAC2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2.ClH/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12,19H,7,13-16H2,(H,23,24);1H
InChIKeyCJGWXTWTURDTMR-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.48
Rot. Bonds7

About 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride

2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride (PubChem CID 46703625) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride
PubChem CID46703625
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2.ClH/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12,19H,7,13-16H2,(H,23,24);1H
InChIKeyCJGWXTWTURDTMR-UHFFFAOYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride (CID 46703625) is 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride is Cl.O=C(O)CC1CCN1CCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride?
The InChIKey is CJGWXTWTURDTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.ClH/c23-21(24)16-19-13-15-22(19)14-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12,19H,7,13-16H2,(H,23,24);1H.
What are the key properties of 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride?
2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-diphenylbut-3-enyl)azetidin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 46703625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).