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

C13H22N2O2 — CID 22984930

IUPAC5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCCO2)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-12-6-9-5-10(9)7-15(13(12)16)8-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3
InChIKeyDNRTYEMUXYLSDJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds3

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

5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984930) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984930
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCCO2)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-12-6-9-5-10(9)7-15(13(12)16)8-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3
InChIKeyDNRTYEMUXYLSDJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-(Methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one
CID 22984909
5-(Methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984926
5-(Methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984927
5-(Methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984929
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-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984933
5-(Methylamino)-3-(oxan-4-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984934
4-Methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one
CID 22985065
3-(2-Methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985094

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984930) is 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CCCO2)C1=O.
What is the InChIKey of 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is DNRTYEMUXYLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-12-6-9-5-10(9)7-15(13(12)16)8-11-3-2-4-17-11/h9-12,14H,2-8H2,1H3.
What are the key properties of 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 238.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).