spiro[4H-isoquinoline-3,4'-oxane]

C13H15NO — CID 10584225

IUPACspiro[4H-isoquinoline-3,4'-oxane]
SMILESC1=NC2(CCOCC2)Cc2ccccc21
InChIInChI=1S/C13H15NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,10H,5-9H2
InChIKeyGLNUYDVQZVXWNP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds

About spiro[4H-isoquinoline-3,4'-oxane]

spiro[4H-isoquinoline-3,4'-oxane] (PubChem CID 10584225) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is spiro[4H-isoquinoline-3,4'-oxane].

Molecular Properties

Compound Namespiro[4H-isoquinoline-3,4'-oxane]
PubChem CID10584225
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namespiro[4H-isoquinoline-3,4'-oxane]
SMILESC1=NC2(CCOCC2)Cc2ccccc21
InChIInChI=1S/C13H15NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,10H,5-9H2
InChIKeyGLNUYDVQZVXWNP-UHFFFAOYSA-N
XLogP2.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-isoquinoline-3,4'-oxane]?
The IUPAC name of spiro[4H-isoquinoline-3,4'-oxane] (CID 10584225) is spiro[4H-isoquinoline-3,4'-oxane].
What is the SMILES notation for spiro[4H-isoquinoline-3,4'-oxane]?
The canonical SMILES for spiro[4H-isoquinoline-3,4'-oxane] is C1=NC2(CCOCC2)Cc2ccccc21.
What is the InChIKey of spiro[4H-isoquinoline-3,4'-oxane]?
The InChIKey is GLNUYDVQZVXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,10H,5-9H2.
What are the key properties of spiro[4H-isoquinoline-3,4'-oxane]?
spiro[4H-isoquinoline-3,4'-oxane] has a molecular weight of 201.27 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-isoquinoline-3,4'-oxane] is sourced from PubChem (CID 10584225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).