9-azabicyclo[4.2.1]non-3-ene

C8H13N — CID 6500469

IUPAC9-azabicyclo[4.2.1]non-3-ene
SMILESC1=CCC2CCC(C1)N2
InChIInChI=1S/C8H13N/c1-2-4-8-6-5-7(3-1)9-8/h1-2,7-9H,3-6H2
InChIKeyDYAMZAOQRJAZPR-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.46
Rot. Bonds

About 9-azabicyclo[4.2.1]non-3-ene

9-azabicyclo[4.2.1]non-3-ene (PubChem CID 6500469) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 9-azabicyclo[4.2.1]non-3-ene.

Molecular Properties

Compound Name9-azabicyclo[4.2.1]non-3-ene
PubChem CID6500469
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name9-azabicyclo[4.2.1]non-3-ene
SMILESC1=CCC2CCC(C1)N2
InChIInChI=1S/C8H13N/c1-2-4-8-6-5-7(3-1)9-8/h1-2,7-9H,3-6H2
InChIKeyDYAMZAOQRJAZPR-UHFFFAOYSA-N
XLogP1.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 9-azabicyclo[4.2.1]non-3-ene?
The IUPAC name of 9-azabicyclo[4.2.1]non-3-ene (CID 6500469) is 9-azabicyclo[4.2.1]non-3-ene.
What is the SMILES notation for 9-azabicyclo[4.2.1]non-3-ene?
The canonical SMILES for 9-azabicyclo[4.2.1]non-3-ene is C1=CCC2CCC(C1)N2.
What is the InChIKey of 9-azabicyclo[4.2.1]non-3-ene?
The InChIKey is DYAMZAOQRJAZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-6-5-7(3-1)9-8/h1-2,7-9H,3-6H2.
What are the key properties of 9-azabicyclo[4.2.1]non-3-ene?
9-azabicyclo[4.2.1]non-3-ene has a molecular weight of 123.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[4.2.1]non-3-ene is sourced from PubChem (CID 6500469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).