spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]

C13H17NO — CID 10750676

IUPACspiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]
SMILESc1ccc2c(c1)CNC1(CCOCC1)C2
InChIInChI=1S/C13H17NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,14H,5-10H2
InChIKeyGTQXBEVIGRNZSL-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.88
Rot. Bonds

About spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]

spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane] (PubChem CID 10750676) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane].

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]
PubChem CID10750676
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Namespiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]
SMILESc1ccc2c(c1)CNC1(CCOCC1)C2
InChIInChI=1S/C13H17NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,14H,5-10H2
InChIKeyGTQXBEVIGRNZSL-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]?
The IUPAC name of spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane] (CID 10750676) is spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane].
What is the SMILES notation for spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]?
The canonical SMILES for spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane] is c1ccc2c(c1)CNC1(CCOCC1)C2.
What is the InChIKey of spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]?
The InChIKey is GTQXBEVIGRNZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-12-10-14-13(9-11(12)3-1)5-7-15-8-6-13/h1-4,14H,5-10H2.
What are the key properties of spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane]?
spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane] has a molecular weight of 203.29 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-isoquinoline-3,4'-oxane] is sourced from PubChem (CID 10750676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).