spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride

C9H15ClN2O2 — CID 119099174

IUPACspiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
SMILESCl.O=C1NCC2(CC3CCC(C2)N3)O1
InChIInChI=1S/C9H14N2O2.ClH/c12-8-10-5-9(13-8)3-6-1-2-7(4-9)11-6;/h6-7,11H,1-5H2,(H,10,12);1H
InChIKeyMBLYZLKFWIMKKX-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.80
Rot. Bonds

About spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride

spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride (PubChem CID 119099174) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride.

Molecular Properties

Compound Namespiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
PubChem CID119099174
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Namespiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
SMILESCl.O=C1NCC2(CC3CCC(C2)N3)O1
InChIInChI=1S/C9H14N2O2.ClH/c12-8-10-5-9(13-8)3-6-1-2-7(4-9)11-6;/h6-7,11H,1-5H2,(H,10,12);1H
InChIKeyMBLYZLKFWIMKKX-UHFFFAOYSA-N
XLogP0.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The IUPAC name of spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride (CID 119099174) is spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride.
What is the SMILES notation for spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The canonical SMILES for spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride is Cl.O=C1NCC2(CC3CCC(C2)N3)O1.
What is the InChIKey of spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The InChIKey is MBLYZLKFWIMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c12-8-10-5-9(13-8)3-6-1-2-7(4-9)11-6;/h6-7,11H,1-5H2,(H,10,12);1H.
What are the key properties of spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride is sourced from PubChem (CID 119099174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).