4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine

C20H23ClN2O — CID 23453639

IUPAC4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
SMILESClc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H23ClN2O/c21-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(22-20)23-9-11-24-12-10-23/h1-6,15-16,19H,7-13H2
InChIKeyGLVLMHXLLZAGJK-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.89
Rot. Bonds1

About 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine

4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine (PubChem CID 23453639) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine.

Molecular Properties

Compound Name4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
PubChem CID23453639
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
SMILESClc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H23ClN2O/c21-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(22-20)23-9-11-24-12-10-23/h1-6,15-16,19H,7-13H2
InChIKeyGLVLMHXLLZAGJK-UHFFFAOYSA-N
XLogP3.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The IUPAC name of 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine (CID 23453639) is 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine.
What is the SMILES notation for 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The canonical SMILES for 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine is Clc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)cc1.
What is the InChIKey of 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The InChIKey is GLVLMHXLLZAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(22-20)23-9-11-24-12-10-23/h1-6,15-16,19H,7-13H2.
What are the key properties of 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine has a molecular weight of 342.87 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine is sourced from PubChem (CID 23453639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).