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

C20H22Cl2N2O — CID 23453648

IUPAC4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
SMILESClc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c21-15-3-4-16(17(22)12-15)19-13-1-2-14(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h1-4,12-14,19H,5-11H2
InChIKeyJVXPSZQNLJXKOM-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.55
Rot. Bonds1

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

4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine (PubChem CID 23453648) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine.

Molecular Properties

Compound Name4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
PubChem CID23453648
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
SMILESClc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c21-15-3-4-16(17(22)12-15)19-13-1-2-14(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h1-4,12-14,19H,5-11H2
InChIKeyJVXPSZQNLJXKOM-UHFFFAOYSA-N
XLogP4.55
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.55
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'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The IUPAC name of 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine (CID 23453648) is 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine.
What is the SMILES notation for 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The canonical SMILES for 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine is Clc1ccc(C2C3C=CC(C3)C23CCC(N2CCOCC2)=N3)c(Cl)c1.
What is the InChIKey of 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
The InChIKey is JVXPSZQNLJXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-15-3-4-16(17(22)12-15)19-13-1-2-14(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h1-4,12-14,19H,5-11H2.
What are the key properties of 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine?
4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine has a molecular weight of 377.32 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6'-(2,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine is sourced from PubChem (CID 23453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).