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

C12H20N2O2 — CID 22984927

IUPAC5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCO2)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)7-10-2-3-16-10/h8-11,13H,2-7H2,1H3
InChIKeySSLZFQLEIYBYEY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.23
Rot. Bonds3

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

5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984927) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984927
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCO2)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)7-10-2-3-16-10/h8-11,13H,2-7H2,1H3
InChIKeySSLZFQLEIYBYEY-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
CID 122152111
3-(2-Hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984887
5-(Methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984926
5-(Methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984928
5-(Methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984929
5-(Methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984930
5-(Methylamino)-3-(oxolan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984931
5-(Methylamino)-3-(oxan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984932
5-(Methylamino)-3-(oxan-4-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984934
4-Methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one
CID 22985061
3-(2-Methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985094
5,5-Dimethyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one
CID 22985104

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984927) is 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CCO2)C1=O.
What is the InChIKey of 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is SSLZFQLEIYBYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)7-10-2-3-16-10/h8-11,13H,2-7H2,1H3.
What are the key properties of 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 224.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).