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

C12H20N2O2 — CID 22984928

IUPAC5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2COC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h8-11,13H,2-7H2,1H3
InChIKeySJNHGIXUSYVKBH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.09
Rot. Bonds3

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

5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984928) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984928
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2COC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h8-11,13H,2-7H2,1H3
InChIKeySJNHGIXUSYVKBH-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-(Methylamino)-3-(2-methylbutan-2-yl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984886
3-(2-Hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984887
5-(Methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984891
3-Ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984892
5-(Methylamino)-3-(2-methylpropyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984893
5-(Methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one
CID 22984894
3-(Methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one
CID 22984906
5-(Methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984920
5-(Methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984927

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984928) is 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2COC2)C1=O.
What is the InChIKey of 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is SJNHGIXUSYVKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h8-11,13H,2-7H2,1H3.
What are the key properties of 5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 224.30 g/mol, XLogP of 0.09, 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-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).