3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

C11H20N2O2 — CID 22985094

IUPAC3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CCOC)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-6-8-5-9(8)7-13(11(10)14)3-4-15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyLQSQBGHKHGGIRM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.09
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22985094) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22985094
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CCOC)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-6-8-5-9(8)7-13(11(10)14)3-4-15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyLQSQBGHKHGGIRM-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
CID 122152111
5-(Methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one
CID 20590077
3-[(1-Ethylpiperidin-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20604348
3-[(1-Ethylazepan-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20604349
1-(2-Methoxyethyl)-4-methyl-3-(methylamino)azepan-2-one
CID 22984709
1-(2-Methoxyethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984710
1-(2-Methoxyethyl)-5-methyl-3-(methylamino)azepan-2-one
CID 22984711
1-(2-Methoxyethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984712
1-(2-Methoxyethyl)-6-methyl-3-(methylamino)azepan-2-one
CID 22984713
1-(2-Methoxyethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984714
1-(2-Methoxyethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984715

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22985094) is 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CCOC)C1=O.
What is the InChIKey of 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is LQSQBGHKHGGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10-6-8-5-9(8)7-13(11(10)14)3-4-15-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 212.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22985094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).