4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine

C17H22N2O — CID 818746

IUPAC4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1
InChIInChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2
InChIKeyAXYQGNUBBJLOBT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds

About 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine

4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine (PubChem CID 818746) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine.

Molecular Properties

Compound Name4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
PubChem CID818746
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1
InChIInChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2
InChIKeyAXYQGNUBBJLOBT-UHFFFAOYSA-N
XLogP2.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine (CID 818746) is 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine.
What is the SMILES notation for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The canonical SMILES for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine is c1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1.
What is the InChIKey of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The InChIKey is AXYQGNUBBJLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine has a molecular weight of 270.38 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine is sourced from PubChem (CID 818746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).