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

C20H24Cl2N2O — CID 23453650

IUPAC4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESClc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1Cl
InChIInChI=1S/C20H24Cl2N2O/c21-16-4-2-14(12-17(16)22)19-13-1-3-15(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h2,4,12-13,15,19H,1,3,5-11H2
InChIKeyZTSSDHZJCFWWKD-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.77
Rot. Bonds1

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

4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (PubChem CID 23453650) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.

Molecular Properties

Compound Name4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
PubChem CID23453650
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESClc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1Cl
InChIInChI=1S/C20H24Cl2N2O/c21-16-4-2-14(12-17(16)22)19-13-1-3-15(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h2,4,12-13,15,19H,1,3,5-11H2
InChIKeyZTSSDHZJCFWWKD-UHFFFAOYSA-N
XLogP4.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The IUPAC name of 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (CID 23453650) is 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.
What is the SMILES notation for 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The canonical SMILES for 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is Clc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1Cl.
What is the InChIKey of 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The InChIKey is ZTSSDHZJCFWWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c21-16-4-2-14(12-17(16)22)19-13-1-3-15(11-13)20(19)6-5-18(23-20)24-7-9-25-10-8-24/h2,4,12-13,15,19H,1,3,5-11H2.
What are the key properties of 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine has a molecular weight of 379.33 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-(3,4-dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is sourced from PubChem (CID 23453650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).