3-cyclononyl-2H-oxadiazol-5-ol

C11H20N2O2 — CID 155263249

IUPAC3-cyclononyl-2H-oxadiazol-5-ol
SMILESOC1=CN(C2CCCCCCCC2)NO1
InChIInChI=1S/C11H20N2O2/c14-11-9-13(12-15-11)10-7-5-3-1-2-4-6-8-10/h9-10,12,14H,1-8H2
InChIKeyMPLKWAZIRIUOFG-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.60
Rot. Bonds1

About 3-cyclononyl-2H-oxadiazol-5-ol

3-cyclononyl-2H-oxadiazol-5-ol (PubChem CID 155263249) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-cyclononyl-2H-oxadiazol-5-ol.

Molecular Properties

Compound Name3-cyclononyl-2H-oxadiazol-5-ol
PubChem CID155263249
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-cyclononyl-2H-oxadiazol-5-ol
SMILESOC1=CN(C2CCCCCCCC2)NO1
InChIInChI=1S/C11H20N2O2/c14-11-9-13(12-15-11)10-7-5-3-1-2-4-6-8-10/h9-10,12,14H,1-8H2
InChIKeyMPLKWAZIRIUOFG-UHFFFAOYSA-N
XLogP2.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclononyl-2H-oxadiazol-5-ol?
The IUPAC name of 3-cyclononyl-2H-oxadiazol-5-ol (CID 155263249) is 3-cyclononyl-2H-oxadiazol-5-ol.
What is the SMILES notation for 3-cyclononyl-2H-oxadiazol-5-ol?
The canonical SMILES for 3-cyclononyl-2H-oxadiazol-5-ol is OC1=CN(C2CCCCCCCC2)NO1.
What is the InChIKey of 3-cyclononyl-2H-oxadiazol-5-ol?
The InChIKey is MPLKWAZIRIUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-9-13(12-15-11)10-7-5-3-1-2-4-6-8-10/h9-10,12,14H,1-8H2.
What are the key properties of 3-cyclononyl-2H-oxadiazol-5-ol?
3-cyclononyl-2H-oxadiazol-5-ol has a molecular weight of 212.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclononyl-2H-oxadiazol-5-ol is sourced from PubChem (CID 155263249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).