1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine

C12H20N2 — CID 164648186

IUPAC1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine
SMILESC1=CC2CCC1CC2CN1CCCN1
InChIInChI=1S/C12H20N2/c1-6-13-14(7-1)9-12-8-10-2-4-11(12)5-3-10/h2,4,10-13H,1,3,5-9H2
InChIKeyNNJNYCDSJMCEPD-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine

1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine (PubChem CID 164648186) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine
PubChem CID164648186
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine
SMILESC1=CC2CCC1CC2CN1CCCN1
InChIInChI=1S/C12H20N2/c1-6-13-14(7-1)9-12-8-10-2-4-11(12)5-3-10/h2,4,10-13H,1,3,5-9H2
InChIKeyNNJNYCDSJMCEPD-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine?
The IUPAC name of 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine (CID 164648186) is 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine?
The canonical SMILES for 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine is C1=CC2CCC1CC2CN1CCCN1.
What is the InChIKey of 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine?
The InChIKey is NNJNYCDSJMCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-13-14(7-1)9-12-8-10-2-4-11(12)5-3-10/h2,4,10-13H,1,3,5-9H2.
What are the key properties of 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine?
1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine has a molecular weight of 192.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.2]oct-5-enylmethyl)pyrazolidine is sourced from PubChem (CID 164648186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).