9-bicyclo[3.3.1]non-2-enyldiazene

C9H14N2 — CID 70171955

IUPAC9-bicyclo[3.3.1]non-2-enyldiazene
SMILES[H]/N=N/C1C2C=CCC1CCC2
InChIInChI=1S/C9H14N2/c10-11-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-10H,2,4-6H2/b11-10+
InChIKeyKZTBYPBPPHEWPY-ZHACJKMWSA-N
MW150.23 g/mol
LogP2.76
Rot. Bonds1

About 9-bicyclo[3.3.1]non-2-enyldiazene

9-bicyclo[3.3.1]non-2-enyldiazene (PubChem CID 70171955) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 9-bicyclo[3.3.1]non-2-enyldiazene.

Molecular Properties

Compound Name9-bicyclo[3.3.1]non-2-enyldiazene
PubChem CID70171955
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name9-bicyclo[3.3.1]non-2-enyldiazene
SMILES[H]/N=N/C1C2C=CCC1CCC2
InChIInChI=1S/C9H14N2/c10-11-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-10H,2,4-6H2/b11-10+
InChIKeyKZTBYPBPPHEWPY-ZHACJKMWSA-N
XLogP2.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bicyclo[3.3.1]non-2-enyldiazene?
The IUPAC name of 9-bicyclo[3.3.1]non-2-enyldiazene (CID 70171955) is 9-bicyclo[3.3.1]non-2-enyldiazene.
What is the SMILES notation for 9-bicyclo[3.3.1]non-2-enyldiazene?
The canonical SMILES for 9-bicyclo[3.3.1]non-2-enyldiazene is [H]/N=N/C1C2C=CCC1CCC2.
What is the InChIKey of 9-bicyclo[3.3.1]non-2-enyldiazene?
The InChIKey is KZTBYPBPPHEWPY-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H14N2/c10-11-9-7-3-1-4-8(9)6-2-5-7/h1,3,7-10H,2,4-6H2/b11-10+.
What are the key properties of 9-bicyclo[3.3.1]non-2-enyldiazene?
9-bicyclo[3.3.1]non-2-enyldiazene has a molecular weight of 150.23 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bicyclo[3.3.1]non-2-enyldiazene is sourced from PubChem (CID 70171955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).