(5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride

C18H22ClN3O2 — CID 137211131

About (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride

(5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride (PubChem CID 137211131) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride.

Molecular Properties

• Compound Name: (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride
• PubChem CID: 137211131
• Molecular Formula: C18H22ClN3O2
• Molecular Weight: 347.85 g/mol
• Exact Mass: 347.14
• IUPAC Name: (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride
• SMILES: Cc1coc2cc(/N=C3/C[C@@]4(CN5CCC4CC5)ON3)ccc12.Cl
• InChI: InChI=1S/C18H21N3O2.ClH/c1-12-10-22-16-8-14(2-3-15(12)16)19-17-9-18(23-20-17)11-21-6-4-13(18)5-7-21;/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,19,20);1H/t18-;/m0./s1
• InChIKey: PRDAKFNQOODISV-FERBBOLQSA-N
• XLogP: 3.58
• TPSA: 50.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.85
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride?

The IUPAC name of (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride (CID 137211131) is (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride.

What is the SMILES notation for (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride?

The canonical SMILES for (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride is Cc1coc2cc(/N=C3/C[C@@]4(CN5CCC4CC5)ON3)ccc12.Cl.

What is the InChIKey of (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride?

The InChIKey is PRDAKFNQOODISV-FERBBOLQSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c1-12-10-22-16-8-14(2-3-15(12)16)19-17-9-18(23-20-17)11-21-6-4-13(18)5-7-21;/h2-3,8,10,13H,4-7,9,11H2,1H3,(H,19,20);1H/t18-;/m0./s1.

What are the key properties of (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride?

(5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(3-methyl-1-benzofuran-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride is sourced from PubChem (CID 137211131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).