6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine

C10H16N2O — CID 174415109

IUPAC6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine
SMILESCC(C)NN.c1cc2cc(c1)OC2
InChIInChI=1S/C7H6O.C3H10N2/c1-2-6-4-7(3-1)8-5-6;1-3(2)5-4/h1-4H,5H2;3,5H,4H2,1-2H3
InChIKeyUBCUPQYNTOCOGH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.44
Rot. Bonds1

About 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine

6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine (PubChem CID 174415109) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine.

Molecular Properties

Compound Name6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine
PubChem CID174415109
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine
SMILESCC(C)NN.c1cc2cc(c1)OC2
InChIInChI=1S/C7H6O.C3H10N2/c1-2-6-4-7(3-1)8-5-6;1-3(2)5-4/h1-4H,5H2;3,5H,4H2,1-2H3
InChIKeyUBCUPQYNTOCOGH-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine?
The IUPAC name of 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine (CID 174415109) is 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine.
What is the SMILES notation for 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine?
The canonical SMILES for 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine is CC(C)NN.c1cc2cc(c1)OC2.
What is the InChIKey of 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine?
The InChIKey is UBCUPQYNTOCOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C3H10N2/c1-2-6-4-7(3-1)8-5-6;1-3(2)5-4/h1-4H,5H2;3,5H,4H2,1-2H3.
What are the key properties of 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine?
6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine has a molecular weight of 180.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine is sourced from PubChem (CID 174415109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).