4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol

C20H26N2O2 — CID 23453767

IUPAC4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol
SMILESOc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H26N2O2/c23-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(21-20)22-9-11-24-12-10-22/h2-3,5-6,15-16,19,23H,1,4,7-13H2
InChIKeyDGBFVAZXLTUDTH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.17
Rot. Bonds1

About 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol

4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol (PubChem CID 23453767) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol.

Molecular Properties

Compound Name4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol
PubChem CID23453767
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol
SMILESOc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C20H26N2O2/c23-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(21-20)22-9-11-24-12-10-22/h2-3,5-6,15-16,19,23H,1,4,7-13H2
InChIKeyDGBFVAZXLTUDTH-UHFFFAOYSA-N
XLogP3.17
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol?
The IUPAC name of 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol (CID 23453767) is 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol.
What is the SMILES notation for 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol?
The canonical SMILES for 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol is Oc1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1.
What is the InChIKey of 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol?
The InChIKey is DGBFVAZXLTUDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-17-5-2-14(3-6-17)19-15-1-4-16(13-15)20(19)8-7-18(21-20)22-9-11-24-12-10-22/h2-3,5-6,15-16,19,23H,1,4,7-13H2.
What are the key properties of 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol?
4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol has a molecular weight of 326.44 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-4-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]-2'-yl)phenol is sourced from PubChem (CID 23453767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).