3,9-diazabicyclo[3.3.1]non-1-ene

C7H12N2 — CID 23213690

IUPAC3,9-diazabicyclo[3.3.1]non-1-ene
SMILESC1=C2CCCC(CN1)N2
InChIInChI=1S/C7H12N2/c1-2-6-4-8-5-7(3-1)9-6/h4,7-9H,1-3,5H2
InChIKeyYJTZZSKGEPHUTF-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.57
Rot. Bonds

About 3,9-diazabicyclo[3.3.1]non-1-ene

3,9-diazabicyclo[3.3.1]non-1-ene (PubChem CID 23213690) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,9-diazabicyclo[3.3.1]non-1-ene.

Molecular Properties

Compound Name3,9-diazabicyclo[3.3.1]non-1-ene
PubChem CID23213690
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,9-diazabicyclo[3.3.1]non-1-ene
SMILESC1=C2CCCC(CN1)N2
InChIInChI=1S/C7H12N2/c1-2-6-4-8-5-7(3-1)9-6/h4,7-9H,1-3,5H2
InChIKeyYJTZZSKGEPHUTF-UHFFFAOYSA-N
XLogP0.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[3.3.1]non-1-ene?
The IUPAC name of 3,9-diazabicyclo[3.3.1]non-1-ene (CID 23213690) is 3,9-diazabicyclo[3.3.1]non-1-ene.
What is the SMILES notation for 3,9-diazabicyclo[3.3.1]non-1-ene?
The canonical SMILES for 3,9-diazabicyclo[3.3.1]non-1-ene is C1=C2CCCC(CN1)N2.
What is the InChIKey of 3,9-diazabicyclo[3.3.1]non-1-ene?
The InChIKey is YJTZZSKGEPHUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-6-4-8-5-7(3-1)9-6/h4,7-9H,1-3,5H2.
What are the key properties of 3,9-diazabicyclo[3.3.1]non-1-ene?
3,9-diazabicyclo[3.3.1]non-1-ene has a molecular weight of 124.19 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[3.3.1]non-1-ene is sourced from PubChem (CID 23213690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).