3,8-diazabicyclo[3.2.1]oct-6-ene

C6H10N2 — CID 68720106

IUPAC3,8-diazabicyclo[3.2.1]oct-6-ene
SMILESC1=CC2CNCC1N2
InChIInChI=1S/C6H10N2/c1-2-6-4-7-3-5(1)8-6/h1-2,5-8H,3-4H2
InChIKeyLZHPJIAYOGMGNR-UHFFFAOYSA-N
MW110.16 g/mol
LogP-0.51
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]oct-6-ene

3,8-diazabicyclo[3.2.1]oct-6-ene (PubChem CID 68720106) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]oct-6-ene
PubChem CID68720106
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,8-diazabicyclo[3.2.1]oct-6-ene
SMILESC1=CC2CNCC1N2
InChIInChI=1S/C6H10N2/c1-2-6-4-7-3-5(1)8-6/h1-2,5-8H,3-4H2
InChIKeyLZHPJIAYOGMGNR-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 52
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 3,8-diazabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3,8-diazabicyclo[3.2.1]oct-6-ene (CID 68720106) is 3,8-diazabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]oct-6-ene is C1=CC2CNCC1N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]oct-6-ene?
The InChIKey is LZHPJIAYOGMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-4-7-3-5(1)8-6/h1-2,5-8H,3-4H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]oct-6-ene?
3,8-diazabicyclo[3.2.1]oct-6-ene has a molecular weight of 110.16 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 68720106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).