(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine

C6H12N2O3 — CID 116987076

IUPAC(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine
SMILESCC12COC(NN)(OC1)OC2
InChIInChI=1S/C6H12N2O3/c1-5-2-9-6(8-7,10-3-5)11-4-5/h8H,2-4,7H2,1H3
InChIKeyFOXJLXMJIQQYMH-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.86
Rot. Bonds1

About (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine

(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine (PubChem CID 116987076) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine.

Molecular Properties

Compound Name(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine
PubChem CID116987076
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine
SMILESCC12COC(NN)(OC1)OC2
InChIInChI=1S/C6H12N2O3/c1-5-2-9-6(8-7,10-3-5)11-4-5/h8H,2-4,7H2,1H3
InChIKeyFOXJLXMJIQQYMH-UHFFFAOYSA-N
XLogP-0.86
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine?
The IUPAC name of (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine (CID 116987076) is (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine.
What is the SMILES notation for (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine?
The canonical SMILES for (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine is CC12COC(NN)(OC1)OC2.
What is the InChIKey of (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine?
The InChIKey is FOXJLXMJIQQYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-5-2-9-6(8-7,10-3-5)11-4-5/h8H,2-4,7H2,1H3.
What are the key properties of (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine?
(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine has a molecular weight of 160.17 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hydrazine is sourced from PubChem (CID 116987076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).