2,3-diazabicyclo[2.2.2]oct-5-ene

C6H10N2 — CID 15134096

IUPAC2,3-diazabicyclo[2.2.2]oct-5-ene
SMILESC1=CC2CCC1NN2
InChIInChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h1-2,5-8H,3-4H2
InChIKeyCBWRZGNQARXOKI-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.18
Rot. Bonds

About 2,3-diazabicyclo[2.2.2]oct-5-ene

2,3-diazabicyclo[2.2.2]oct-5-ene (PubChem CID 15134096) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3-diazabicyclo[2.2.2]oct-5-ene.

Molecular Properties

Compound Name2,3-diazabicyclo[2.2.2]oct-5-ene
PubChem CID15134096
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2,3-diazabicyclo[2.2.2]oct-5-ene
SMILESC1=CC2CCC1NN2
InChIInChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h1-2,5-8H,3-4H2
InChIKeyCBWRZGNQARXOKI-UHFFFAOYSA-N
XLogP0.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dihydrophenylhydrazine
CID 13491234
2-Methyl-2,3-diazabicyclo[2.2.2]oct-5-ene
CID 167530645
Cyclohex-2-en-1-ylhydrazine;hydrochloride
CID 22394212
1,2,3,4,4a,5,6,7-Octahydro-1,2,3,4-benzotetrazine
CID 70309801
1,2,3,4,6,8a-Hexahydrocinnoline
CID 91056164
1,2,3,5,6,8a-Hexahydrocinnoline
CID 91269028
1,2,3,4,8,8a-Hexahydrocinnoline
CID 91269190
1,2,3,4,6,7,8,8a-Octahydrocinnoline
CID 91305395
(Cyclohex-3-en-1-yl)hydrazine
CID 101115759
1-Cyclohex-2-en-1-yl-2-methylhydrazine
CID 118043502
1-Cyclohex-2-en-1-yl-2-ethylhydrazine
CID 118043503
1,2,3,4,4a,7,8,8a-Octahydro-1,2,3-benzotriazine
CID 141427119

Frequently Asked Questions

What is the IUPAC name of 2,3-diazabicyclo[2.2.2]oct-5-ene?
The IUPAC name of 2,3-diazabicyclo[2.2.2]oct-5-ene (CID 15134096) is 2,3-diazabicyclo[2.2.2]oct-5-ene.
What is the SMILES notation for 2,3-diazabicyclo[2.2.2]oct-5-ene?
The canonical SMILES for 2,3-diazabicyclo[2.2.2]oct-5-ene is C1=CC2CCC1NN2.
What is the InChIKey of 2,3-diazabicyclo[2.2.2]oct-5-ene?
The InChIKey is CBWRZGNQARXOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-4-3-5(1)7-8-6/h1-2,5-8H,3-4H2.
What are the key properties of 2,3-diazabicyclo[2.2.2]oct-5-ene?
2,3-diazabicyclo[2.2.2]oct-5-ene has a molecular weight of 110.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazabicyclo[2.2.2]oct-5-ene is sourced from PubChem (CID 15134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).