(E)-3-azidotridec-6-ene

C13H25N3 — CID 10751591

IUPAC(E)-3-azidotridec-6-ene
SMILESCCCCCC/C=C/CCC(CC)N=[N+]=[N-]
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-11-12-13(4-2)15-16-14/h9-10,13H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyDXOFIRVCRPTZAQ-MDZDMXLPSA-N
MW223.36 g/mol
LogP5.38
Rot. Bonds10

About (E)-3-azidotridec-6-ene

(E)-3-azidotridec-6-ene (PubChem CID 10751591) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-3-azidotridec-6-ene.

Molecular Properties

Compound Name(E)-3-azidotridec-6-ene
PubChem CID10751591
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(E)-3-azidotridec-6-ene
SMILESCCCCCC/C=C/CCC(CC)N=[N+]=[N-]
InChIInChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-11-12-13(4-2)15-16-14/h9-10,13H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyDXOFIRVCRPTZAQ-MDZDMXLPSA-N
XLogP5.38
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.36
LogP ≤ 55.38
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)-3-azidotridec-6-ene?
The IUPAC name of (E)-3-azidotridec-6-ene (CID 10751591) is (E)-3-azidotridec-6-ene.
What is the SMILES notation for (E)-3-azidotridec-6-ene?
The canonical SMILES for (E)-3-azidotridec-6-ene is CCCCCC/C=C/CCC(CC)N=[N+]=[N-].
What is the InChIKey of (E)-3-azidotridec-6-ene?
The InChIKey is DXOFIRVCRPTZAQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-5-6-7-8-9-10-11-12-13(4-2)15-16-14/h9-10,13H,3-8,11-12H2,1-2H3/b10-9+.
What are the key properties of (E)-3-azidotridec-6-ene?
(E)-3-azidotridec-6-ene has a molecular weight of 223.36 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-azidotridec-6-ene is sourced from PubChem (CID 10751591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).