1-azidooct-2-ene

C8H15N3 — CID 57119076

IUPAC1-azidooct-2-ene
SMILESCCCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-7-8-10-11-9/h6-7H,2-5,8H2,1H3
InChIKeyMUTNOQDUVFEJKR-UHFFFAOYSA-N
MW153.23 g/mol
LogP3.43
Rot. Bonds6

About 1-azidooct-2-ene

1-azidooct-2-ene (PubChem CID 57119076) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-azidooct-2-ene.

Molecular Properties

Compound Name1-azidooct-2-ene
PubChem CID57119076
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-azidooct-2-ene
SMILESCCCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-7-8-10-11-9/h6-7H,2-5,8H2,1H3
InChIKeyMUTNOQDUVFEJKR-UHFFFAOYSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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 1-azidooct-2-ene?
The IUPAC name of 1-azidooct-2-ene (CID 57119076) is 1-azidooct-2-ene.
What is the SMILES notation for 1-azidooct-2-ene?
The canonical SMILES for 1-azidooct-2-ene is CCCCCC=CCN=[N+]=[N-].
What is the InChIKey of 1-azidooct-2-ene?
The InChIKey is MUTNOQDUVFEJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-5-6-7-8-10-11-9/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-azidooct-2-ene?
1-azidooct-2-ene has a molecular weight of 153.23 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidooct-2-ene is sourced from PubChem (CID 57119076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).