4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium

C10H16N2O2 — CID 101002551

IUPAC4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium
SMILESCC1(C)CCCCCc2c1no[n+]2[O-]
InChIInChI=1S/C10H16N2O2/c1-10(2)7-5-3-4-6-8-9(10)11-14-12(8)13/h3-7H2,1-2H3
InChIKeyNOZDIWSEKYHPSY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds

About 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium

4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium (PubChem CID 101002551) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium.

Molecular Properties

Compound Name4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium
PubChem CID101002551
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium
SMILESCC1(C)CCCCCc2c1no[n+]2[O-]
InChIInChI=1S/C10H16N2O2/c1-10(2)7-5-3-4-6-8-9(10)11-14-12(8)13/h3-7H2,1-2H3
InChIKeyNOZDIWSEKYHPSY-UHFFFAOYSA-N
XLogP1.70
TPSA52.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium 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 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium?
The IUPAC name of 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium (CID 101002551) is 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium.
What is the SMILES notation for 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium?
The canonical SMILES for 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium is CC1(C)CCCCCc2c1no[n+]2[O-].
What is the InChIKey of 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium?
The InChIKey is NOZDIWSEKYHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2)7-5-3-4-6-8-9(10)11-14-12(8)13/h3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium?
4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium has a molecular weight of 196.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-oxido-6,7,8,9-tetrahydro-5H-cycloocta[c][1,2,5]oxadiazol-1-ium is sourced from PubChem (CID 101002551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).