5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene

C9H14N2 — CID 45092734

IUPAC5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene
SMILESC=C(C)C1CC2CCC1N=N2
InChIInChI=1S/C9H14N2/c1-6(2)8-5-7-3-4-9(8)11-10-7/h7-9H,1,3-5H2,2H3
InChIKeyUVAYZLODYLNQLM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds1

About 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene

5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene (PubChem CID 45092734) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene
PubChem CID45092734
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene
SMILESC=C(C)C1CC2CCC1N=N2
InChIInChI=1S/C9H14N2/c1-6(2)8-5-7-3-4-9(8)11-10-7/h7-9H,1,3-5H2,2H3
InChIKeyUVAYZLODYLNQLM-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene?
The IUPAC name of 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene (CID 45092734) is 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene is C=C(C)C1CC2CCC1N=N2.
What is the InChIKey of 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene?
The InChIKey is UVAYZLODYLNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)8-5-7-3-4-9(8)11-10-7/h7-9H,1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene?
5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene has a molecular weight of 150.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 45092734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).