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

C11H20N2O2 — CID 22984887

IUPAC3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)O)C1=O
InChIInChI=1S/C11H20N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h7-10,12,14H,3-6H2,1-2H3
InChIKeyZKZULPZGICRYDR-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.18
Rot. Bonds3

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

3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984887) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984887
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)O)C1=O
InChIInChI=1S/C11H20N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h7-10,12,14H,3-6H2,1-2H3
InChIKeyZKZULPZGICRYDR-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22984887) is 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC(C)O)C1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is ZKZULPZGICRYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h7-10,12,14H,3-6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 212.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).