(2E,4E)-1-azidonona-2,4-diene

C9H15N3 — CID 118030368

IUPAC(2E,4E)-1-azidonona-2,4-diene
SMILESCCCC/C=C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-7-8-9-11-12-10/h5-8H,2-4,9H2,1H3/b6-5+,8-7+
InChIKeyOCUDXOYRGZYZTB-BSWSSELBSA-N
MW165.24 g/mol
LogP3.60
Rot. Bonds6

About (2E,4E)-1-azidonona-2,4-diene

(2E,4E)-1-azidonona-2,4-diene (PubChem CID 118030368) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,4E)-1-azidonona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-azidonona-2,4-diene
PubChem CID118030368
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2E,4E)-1-azidonona-2,4-diene
SMILESCCCC/C=C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-7-8-9-11-12-10/h5-8H,2-4,9H2,1H3/b6-5+,8-7+
InChIKeyOCUDXOYRGZYZTB-BSWSSELBSA-N
XLogP3.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.60
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-azidonona-2,4-diene?
The IUPAC name of (2E,4E)-1-azidonona-2,4-diene (CID 118030368) is (2E,4E)-1-azidonona-2,4-diene.
What is the SMILES notation for (2E,4E)-1-azidonona-2,4-diene?
The canonical SMILES for (2E,4E)-1-azidonona-2,4-diene is CCCC/C=C/C=C/CN=[N+]=[N-].
What is the InChIKey of (2E,4E)-1-azidonona-2,4-diene?
The InChIKey is OCUDXOYRGZYZTB-BSWSSELBSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-5-6-7-8-9-11-12-10/h5-8H,2-4,9H2,1H3/b6-5+,8-7+.
What are the key properties of (2E,4E)-1-azidonona-2,4-diene?
(2E,4E)-1-azidonona-2,4-diene has a molecular weight of 165.24 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-azidonona-2,4-diene is sourced from PubChem (CID 118030368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).