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

C8H14N2O — CID 22984920

IUPAC5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CNC1=O
InChIInChI=1S/C8H14N2O/c1-9-7-3-5-2-6(5)4-10-8(7)11/h5-7,9H,2-4H2,1H3,(H,10,11)
InChIKeyFJXZCZXEWNRQLN-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.27
Rot. Bonds1

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

5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984920) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984920
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CNC1=O
InChIInChI=1S/C8H14N2O/c1-9-7-3-5-2-6(5)4-10-8(7)11/h5-7,9H,2-4H2,1H3,(H,10,11)
InChIKeyFJXZCZXEWNRQLN-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(methylamino)-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

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22984920) is 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CNC1=O.
What is the InChIKey of 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is FJXZCZXEWNRQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-7-3-5-2-6(5)4-10-8(7)11/h5-7,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 154.21 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).