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

C22H29ClN2O — CID 23453672

IUPAC4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESCCC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2
InChIInChI=1S/C22H29ClN2O/c1-2-21(16-5-7-19(23)8-6-16)17-3-4-18(15-17)22(21)10-9-20(24-22)25-11-13-26-14-12-25/h5-8,17-18H,2-4,9-15H2,1H3
InChIKeyBMTBBCYRODDMJF-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.68
Rot. Bonds2

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

4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (PubChem CID 23453672) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.

Molecular Properties

Compound Name4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
PubChem CID23453672
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESCCC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2
InChIInChI=1S/C22H29ClN2O/c1-2-21(16-5-7-19(23)8-6-16)17-3-4-18(15-17)22(21)10-9-20(24-22)25-11-13-26-14-12-25/h5-8,17-18H,2-4,9-15H2,1H3
InChIKeyBMTBBCYRODDMJF-UHFFFAOYSA-N
XLogP4.68
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Spiclamine
CID 75124296
4-[3'-(4-Fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453644
4-[2'-(4-Fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453681
4-[2'-Methyl-2'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453685
2,6-Dimethyl-4-[2'-methyl-2'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453796
4-[(1'S,3'S,4'S)-3'-(4-chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 3086308
4-[6'-(4-Chlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
CID 23453639
2'-(4-Chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]
CID 23453640
4-[3'-(4-Chlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]-2,6-dimethylmorpholine
CID 23453642
4-[6'-(2,4-Dichlorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
CID 23453648
4-[3'-(3,4-Dichlorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453650
4-(6'-Methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine
CID 23453654

Frequently Asked Questions

What is the IUPAC name of 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The IUPAC name of 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (CID 23453672) is 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.
What is the SMILES notation for 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The canonical SMILES for 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is CCC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2.
What is the InChIKey of 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The InChIKey is BMTBBCYRODDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-2-21(16-5-7-19(23)8-6-16)17-3-4-18(15-17)22(21)10-9-20(24-22)25-11-13-26-14-12-25/h5-8,17-18H,2-4,9-15H2,1H3.
What are the key properties of 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine has a molecular weight of 372.94 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-(4-chlorophenyl)-3'-ethylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is sourced from PubChem (CID 23453672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).