1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one

C21H19Cl2NO — CID 129243794

IUPAC1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one
SMILESO=C1CCN1C1CCc2cc(/C=C/c3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C21H19Cl2NO/c22-19-2-1-3-20(23)18(19)9-5-14-4-6-16-13-17(8-7-15(16)12-14)24-11-10-21(24)25/h1-6,9,12,17H,7-8,10-11,13H2/b9-5+
InChIKeyOPIBVSZWASTWTI-WEVVVXLNSA-N
MW372.30 g/mol
LogP5.25
Rot. Bonds3

About 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one

1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one (PubChem CID 129243794) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one.

Molecular Properties

Compound Name1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one
PubChem CID129243794
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one
SMILESO=C1CCN1C1CCc2cc(/C=C/c3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C21H19Cl2NO/c22-19-2-1-3-20(23)18(19)9-5-14-4-6-16-13-17(8-7-15(16)12-14)24-11-10-21(24)25/h1-6,9,12,17H,7-8,10-11,13H2/b9-5+
InChIKeyOPIBVSZWASTWTI-WEVVVXLNSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one?
The IUPAC name of 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one (CID 129243794) is 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one.
What is the SMILES notation for 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one?
The canonical SMILES for 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one is O=C1CCN1C1CCc2cc(/C=C/c3c(Cl)cccc3Cl)ccc2C1.
What is the InChIKey of 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one?
The InChIKey is OPIBVSZWASTWTI-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c22-19-2-1-3-20(23)18(19)9-5-14-4-6-16-13-17(8-7-15(16)12-14)24-11-10-21(24)25/h1-6,9,12,17H,7-8,10-11,13H2/b9-5+.
What are the key properties of 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one?
1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one has a molecular weight of 372.30 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]azetidin-2-one is sourced from PubChem (CID 129243794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).