4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine

C22H29ClN2O — CID 23453642

IUPAC4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C2=NC3(CC2)C2CCC(C2)C3c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C22H29ClN2O/c1-14-12-25(13-15(2)26-14)20-9-10-22(24-20)18-6-3-17(11-18)21(22)16-4-7-19(23)8-5-16/h4-5,7-8,14-15,17-18,21H,3,6,9-13H2,1-2H3
InChIKeyLMIUYNPCKPSDOV-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.89
Rot. Bonds1

About 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine

4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine (PubChem CID 23453642) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine
PubChem CID23453642
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine
SMILESCC1CN(C2=NC3(CC2)C2CCC(C2)C3c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C22H29ClN2O/c1-14-12-25(13-15(2)26-14)20-9-10-22(24-20)18-6-3-17(11-18)21(22)16-4-7-19(23)8-5-16/h4-5,7-8,14-15,17-18,21H,3,6,9-13H2,1-2H3
InChIKeyLMIUYNPCKPSDOV-UHFFFAOYSA-N
XLogP4.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine (CID 23453642) is 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine is CC1CN(C2=NC3(CC2)C2CCC(C2)C3c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine?
The InChIKey is LMIUYNPCKPSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-14-12-25(13-15(2)26-14)20-9-10-22(24-20)18-6-3-17(11-18)21(22)16-4-7-19(23)8-5-16/h4-5,7-8,14-15,17-18,21H,3,6,9-13H2,1-2H3.
What are the key properties of 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine?
4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine has a molecular weight of 372.94 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 23453642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).