2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine

C6H12N2O — CID 177206131

IUPAC2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine
SMILESNNCC12COC(C1)C2
InChIInChI=1S/C6H12N2O/c7-8-3-6-1-5(2-6)9-4-6/h5,8H,1-4,7H2
InChIKeyINUBSMPKTHKIIX-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.37
Rot. Bonds2

About 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine

2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine (PubChem CID 177206131) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine.

Molecular Properties

Compound Name2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine
PubChem CID177206131
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine
SMILESNNCC12COC(C1)C2
InChIInChI=1S/C6H12N2O/c7-8-3-6-1-5(2-6)9-4-6/h5,8H,1-4,7H2
InChIKeyINUBSMPKTHKIIX-UHFFFAOYSA-N
XLogP-0.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.37
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'}

Analyze 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine 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 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine?
The IUPAC name of 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine (CID 177206131) is 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine.
What is the SMILES notation for 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine?
The canonical SMILES for 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine is NNCC12COC(C1)C2.
What is the InChIKey of 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine?
The InChIKey is INUBSMPKTHKIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-8-3-6-1-5(2-6)9-4-6/h5,8H,1-4,7H2.
What are the key properties of 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine?
2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine has a molecular weight of 128.17 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.1.1]hexan-4-ylmethylhydrazine is sourced from PubChem (CID 177206131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).