1-azidodeca-2,4-diene

C10H17N3 — CID 151115774

IUPAC1-azidodeca-2,4-diene
SMILESCCCCCC=CC=CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-9-10-12-13-11/h6-9H,2-5,10H2,1H3
InChIKeyMRCPANMKKYFIMZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.99
Rot. Bonds7

About 1-azidodeca-2,4-diene

1-azidodeca-2,4-diene (PubChem CID 151115774) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-azidodeca-2,4-diene.

Molecular Properties

Compound Name1-azidodeca-2,4-diene
PubChem CID151115774
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-azidodeca-2,4-diene
SMILESCCCCCC=CC=CCN=[N+]=[N-]
InChIInChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-9-10-12-13-11/h6-9H,2-5,10H2,1H3
InChIKeyMRCPANMKKYFIMZ-UHFFFAOYSA-N
XLogP3.99
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.99
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 1-azidodeca-2,4-diene?
The IUPAC name of 1-azidodeca-2,4-diene (CID 151115774) is 1-azidodeca-2,4-diene.
What is the SMILES notation for 1-azidodeca-2,4-diene?
The canonical SMILES for 1-azidodeca-2,4-diene is CCCCCC=CC=CCN=[N+]=[N-].
What is the InChIKey of 1-azidodeca-2,4-diene?
The InChIKey is MRCPANMKKYFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-9-10-12-13-11/h6-9H,2-5,10H2,1H3.
What are the key properties of 1-azidodeca-2,4-diene?
1-azidodeca-2,4-diene has a molecular weight of 179.27 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidodeca-2,4-diene is sourced from PubChem (CID 151115774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).