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

C9H16N2O — CID 105221520

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CC2CCC1O2
InChIInChI=1S/C9H16N2O/c1-2-8(11-10)7-5-6-3-4-9(7)12-6/h2,6-9,11H,1,3-5,10H2
InChIKeyRMBUDKUBPDUUGC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.57
Rot. Bonds3

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

1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine (PubChem CID 105221520) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine
PubChem CID105221520
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine
SMILESC=CC(NN)C1CC2CCC1O2
InChIInChI=1S/C9H16N2O/c1-2-8(11-10)7-5-6-3-4-9(7)12-6/h2,6-9,11H,1,3-5,10H2
InChIKeyRMBUDKUBPDUUGC-UHFFFAOYSA-N
XLogP0.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.57
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)prop-2-enylhydrazine?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine (CID 105221520) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine is C=CC(NN)C1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine?
The InChIKey is RMBUDKUBPDUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-8(11-10)7-5-6-3-4-9(7)12-6/h2,6-9,11H,1,3-5,10H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine has a molecular weight of 168.24 g/mol, XLogP of 0.57, 3 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)prop-2-enylhydrazine is sourced from PubChem (CID 105221520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).