spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]

C13H15NO — CID 11413006

IUPACspiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]
SMILESc1ccc2c(c1)CCN1OCC3(CC3)C21
InChIInChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)13(6-7-13)9-15-14/h1-4,12H,5-9H2
InChIKeyRYSXDYLNSPUCAK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.31
Rot. Bonds

About spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]

spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane] (PubChem CID 11413006) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane].

Molecular Properties

Compound Namespiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]
PubChem CID11413006
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namespiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]
SMILESc1ccc2c(c1)CCN1OCC3(CC3)C21
InChIInChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)13(6-7-13)9-15-14/h1-4,12H,5-9H2
InChIKeyRYSXDYLNSPUCAK-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]?
The IUPAC name of spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane] (CID 11413006) is spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane].
What is the SMILES notation for spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]?
The canonical SMILES for spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane] is c1ccc2c(c1)CCN1OCC3(CC3)C21.
What is the InChIKey of spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]?
The InChIKey is RYSXDYLNSPUCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)13(6-7-13)9-15-14/h1-4,12H,5-9H2.
What are the key properties of spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]?
spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane] has a molecular weight of 201.27 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane] is sourced from PubChem (CID 11413006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).