(E)-1-azidooct-2-ene

C8H15N3 — CID 14415560

IUPAC(E)-1-azidooct-2-ene
SMILESCCCCC/C=C/CN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-7-8-10-11-9/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyMUTNOQDUVFEJKR-VOTSOKGWSA-N
MW153.23 g/mol
LogP3.43
Rot. Bonds6

About (E)-1-azidooct-2-ene

(E)-1-azidooct-2-ene (PubChem CID 14415560) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (E)-1-azidooct-2-ene.

Molecular Properties

Compound Name(E)-1-azidooct-2-ene
PubChem CID14415560
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(E)-1-azidooct-2-ene
SMILESCCCCC/C=C/CN=[N+]=[N-]
InChIInChI=1S/C8H15N3/c1-2-3-4-5-6-7-8-10-11-9/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyMUTNOQDUVFEJKR-VOTSOKGWSA-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 (E)-1-azidooct-2-ene?
The IUPAC name of (E)-1-azidooct-2-ene (CID 14415560) is (E)-1-azidooct-2-ene.
What is the SMILES notation for (E)-1-azidooct-2-ene?
The canonical SMILES for (E)-1-azidooct-2-ene is CCCCC/C=C/CN=[N+]=[N-].
What is the InChIKey of (E)-1-azidooct-2-ene?
The InChIKey is MUTNOQDUVFEJKR-VOTSOKGWSA-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/b7-6+.
What are the key properties of (E)-1-azidooct-2-ene?
(E)-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 (E)-1-azidooct-2-ene is sourced from PubChem (CID 14415560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).