1,2-diazabicyclo[3.3.1]non-6-ene

C7H12N2 — CID 159933399

IUPAC1,2-diazabicyclo[3.3.1]non-6-ene
SMILESC1=CC2CCNN(C1)C2
InChIInChI=1S/C7H12N2/c1-2-7-3-4-8-9(5-1)6-7/h1-2,7-8H,3-6H2
InChIKeyNZXTXJYWCCJBOO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.38
Rot. Bonds

About 1,2-diazabicyclo[3.3.1]non-6-ene

1,2-diazabicyclo[3.3.1]non-6-ene (PubChem CID 159933399) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2-diazabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name1,2-diazabicyclo[3.3.1]non-6-ene
PubChem CID159933399
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2-diazabicyclo[3.3.1]non-6-ene
SMILESC1=CC2CCNN(C1)C2
InChIInChI=1S/C7H12N2/c1-2-7-3-4-8-9(5-1)6-7/h1-2,7-8H,3-6H2
InChIKeyNZXTXJYWCCJBOO-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Methyl-1,2-diazabicyclo[3.3.1]non-6-ene
CID 90909223
5-Chloro-1,2-diazabicyclo[3.3.1]non-6-ene
CID 176698356
1-[(Cyclopent-3-en-1-yl)methyl]-1,2-diazinane
CID 164652652

Frequently Asked Questions

What is the IUPAC name of 1,2-diazabicyclo[3.3.1]non-6-ene?
The IUPAC name of 1,2-diazabicyclo[3.3.1]non-6-ene (CID 159933399) is 1,2-diazabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 1,2-diazabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 1,2-diazabicyclo[3.3.1]non-6-ene is C1=CC2CCNN(C1)C2.
What is the InChIKey of 1,2-diazabicyclo[3.3.1]non-6-ene?
The InChIKey is NZXTXJYWCCJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-7-3-4-8-9(5-1)6-7/h1-2,7-8H,3-6H2.
What are the key properties of 1,2-diazabicyclo[3.3.1]non-6-ene?
1,2-diazabicyclo[3.3.1]non-6-ene has a molecular weight of 124.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 159933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).