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

C13H15NO — CID 101351847

IUPAC(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]
SMILESc1ccc2c(c1)CCN1OC3(CC3)C[C@H]21
InChIInChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)9-13(15-14)6-7-13/h1-4,12H,5-9H2/t12-/m1/s1
InChIKeySCSBVPGZVSRETF-GFCCVEGCSA-N
MW201.27 g/mol
LogP2.45
Rot. Bonds

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

(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] (PubChem CID 101351847) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane].

Molecular Properties

Compound Name(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]
PubChem CID101351847
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]
SMILESc1ccc2c(c1)CCN1OC3(CC3)C[C@H]21
InChIInChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)9-13(15-14)6-7-13/h1-4,12H,5-9H2/t12-/m1/s1
InChIKeySCSBVPGZVSRETF-GFCCVEGCSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]?
The IUPAC name of (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] (CID 101351847) is (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane].
What is the SMILES notation for (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]?
The canonical SMILES for (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] is c1ccc2c(c1)CCN1OC3(CC3)C[C@H]21.
What is the InChIKey of (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]?
The InChIKey is SCSBVPGZVSRETF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-4-11-10(3-1)5-8-14-12(11)9-13(15-14)6-7-13/h1-4,12H,5-9H2/t12-/m1/s1.
What are the key properties of (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]?
(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] has a molecular weight of 201.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane] is sourced from PubChem (CID 101351847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).