1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine

C10H18N2O — CID 105221677

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CC2CCC1O2
InChIInChI=1S/C10H18N2O/c1-2-3-9(12-11)8-6-7-4-5-10(8)13-7/h2,7-10,12H,1,3-6,11H2
InChIKeyFHKBCVUDILMCOT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.96
Rot. Bonds4

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine

1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine (PubChem CID 105221677) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine
PubChem CID105221677
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CC2CCC1O2
InChIInChI=1S/C10H18N2O/c1-2-3-9(12-11)8-6-7-4-5-10(8)13-7/h2,7-10,12H,1,3-6,11H2
InChIKeyFHKBCVUDILMCOT-UHFFFAOYSA-N
XLogP0.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine (CID 105221677) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine is C=CCC(NN)C1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine?
The InChIKey is FHKBCVUDILMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-9(12-11)8-6-7-4-5-10(8)13-7/h2,7-10,12H,1,3-6,11H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine has a molecular weight of 182.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-3-enylhydrazine is sourced from PubChem (CID 105221677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).