[(E)-3-azidoprop-1-enyl]cyclohexane

C9H15N3 — CID 102226727

IUPAC[(E)-3-azidoprop-1-enyl]cyclohexane
SMILES[N-]=[N+]=NC/C=C/C1CCCCC1
InChIInChI=1S/C9H15N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyAJDFYALTGYIFPU-QPJJXVBHSA-N
MW165.24 g/mol
LogP3.43
Rot. Bonds3

About [(E)-3-azidoprop-1-enyl]cyclohexane

[(E)-3-azidoprop-1-enyl]cyclohexane (PubChem CID 102226727) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [(E)-3-azidoprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-azidoprop-1-enyl]cyclohexane
PubChem CID102226727
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[(E)-3-azidoprop-1-enyl]cyclohexane
SMILES[N-]=[N+]=NC/C=C/C1CCCCC1
InChIInChI=1S/C9H15N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyAJDFYALTGYIFPU-QPJJXVBHSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-azidoprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-azidoprop-1-enyl]cyclohexane (CID 102226727) is [(E)-3-azidoprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-azidoprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-azidoprop-1-enyl]cyclohexane is [N-]=[N+]=NC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-azidoprop-1-enyl]cyclohexane?
The InChIKey is AJDFYALTGYIFPU-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+.
What are the key properties of [(E)-3-azidoprop-1-enyl]cyclohexane?
[(E)-3-azidoprop-1-enyl]cyclohexane has a molecular weight of 165.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-azidoprop-1-enyl]cyclohexane is sourced from PubChem (CID 102226727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).