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

C20H25FN2O — CID 23453644

IUPAC4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESFc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H25FN2O/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/h2-3,5-6,15-16,19H,1,4,7-13H2
InChIKeyCMMUBMCMIDNIIX-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.60
Rot. Bonds1

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

4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (PubChem CID 23453644) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.

Molecular Properties

Compound Name4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
PubChem CID23453644
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESFc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H25FN2O/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/h2-3,5-6,15-16,19H,1,4,7-13H2
InChIKeyCMMUBMCMIDNIIX-UHFFFAOYSA-N
XLogP3.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Spiclamine
CID 75124296
2'-Methyl-5-piperidin-1-yl-2'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]
CID 23453645
4-[6'-(4-Fluorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.2]oct-2-ene]-2-yl]morpholine
CID 23453651
2,6-Dimethyl-4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453666
4-[3'-[4-(Trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
CID 23453677
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
4-[6'-(4-Fluorophenyl)spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]morpholine
CID 23453709
4-[6'-[4-(Trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.2]oct-2-ene]-2-yl]morpholine
CID 23453713
4-[3'-[4-(Trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.2]octane]-2-yl]morpholine
CID 23453731
5-Piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
CID 23453756
5-(4-Phenylpiperidin-1-yl)-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
CID 23453768

Frequently Asked Questions

What is the IUPAC name of 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The IUPAC name of 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (CID 23453644) is 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.
What is the SMILES notation for 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The canonical SMILES for 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is Fc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1.
What is the InChIKey of 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The InChIKey is CMMUBMCMIDNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/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/h2-3,5-6,15-16,19H,1,4,7-13H2.
What are the key properties of 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine has a molecular weight of 328.43 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-(4-fluorophenyl)spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is sourced from PubChem (CID 23453644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).