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

C21H27FN2O — CID 23453681

IUPAC4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESCC1(c2ccc(F)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2
InChIInChI=1S/C21H27FN2O/c1-20(15-4-6-18(22)7-5-15)16-2-3-17(14-16)21(20)9-8-19(23-21)24-10-12-25-13-11-24/h4-7,16-17H,2-3,8-14H2,1H3
InChIKeyKXZBKWVKLLKMIJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.78
Rot. Bonds1

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

4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine (PubChem CID 23453681) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine.

Molecular Properties

Compound Name4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
PubChem CID23453681
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESCC1(c2ccc(F)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2
InChIInChI=1S/C21H27FN2O/c1-20(15-4-6-18(22)7-5-15)16-2-3-17(14-16)21(20)9-8-19(23-21)24-10-12-25-13-11-24/h4-7,16-17H,2-3,8-14H2,1H3
InChIKeyKXZBKWVKLLKMIJ-UHFFFAOYSA-N
XLogP3.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The IUPAC name of 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine (CID 23453681) is 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine.
What is the SMILES notation for 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The canonical SMILES for 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine is CC1(c2ccc(F)cc2)C2CCC(C2)C12CCC(N1CCOCC1)=N2.
What is the InChIKey of 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The InChIKey is KXZBKWVKLLKMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-20(15-4-6-18(22)7-5-15)16-2-3-17(14-16)21(20)9-8-19(23-21)24-10-12-25-13-11-24/h4-7,16-17H,2-3,8-14H2,1H3.
What are the key properties of 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine has a molecular weight of 342.46 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2'-(4-fluorophenyl)-2'-methylspiro[3,4-dihydropyrrole-5,3'-bicyclo[2.2.1]heptane]-2-yl]morpholine is sourced from PubChem (CID 23453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).