4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

C11H19ClN2O2 — CID 91812251

IUPAC4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCN1CC2(CC3CCC(C2)N3)OCC1=O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-13-7-11(15-6-10(13)14)4-8-2-3-9(5-11)12-8;/h8-9,12H,2-7H2,1H3;1H
InChIKeyIRDWZEOMQMPWBU-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.55
Rot. Bonds

About 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (PubChem CID 91812251) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.

Molecular Properties

Compound Name4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
PubChem CID91812251
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCN1CC2(CC3CCC(C2)N3)OCC1=O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-13-7-11(15-6-10(13)14)4-8-2-3-9(5-11)12-8;/h8-9,12H,2-7H2,1H3;1H
InChIKeyIRDWZEOMQMPWBU-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The IUPAC name of 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (CID 91812251) is 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.
What is the SMILES notation for 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The canonical SMILES for 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is CN1CC2(CC3CCC(C2)N3)OCC1=O.Cl.
What is the InChIKey of 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The InChIKey is IRDWZEOMQMPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-13-7-11(15-6-10(13)14)4-8-2-3-9(5-11)12-8;/h8-9,12H,2-7H2,1H3;1H.
What are the key properties of 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is sourced from PubChem (CID 91812251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).