1-azidohex-2-ene

C6H11N3 — CID 85381379

IUPAC1-azidohex-2-ene
SMILESCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h4-5H,2-3,6H2,1H3
InChIKeyIPFZBBHPJHKLEP-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.65
Rot. Bonds4

About 1-azidohex-2-ene

1-azidohex-2-ene (PubChem CID 85381379) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-azidohex-2-ene.

Molecular Properties

Compound Name1-azidohex-2-ene
PubChem CID85381379
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-azidohex-2-ene
SMILESCCCC=CCN=[N+]=[N-]
InChIInChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h4-5H,2-3,6H2,1H3
InChIKeyIPFZBBHPJHKLEP-UHFFFAOYSA-N
XLogP2.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azidohex-2-ene?
The IUPAC name of 1-azidohex-2-ene (CID 85381379) is 1-azidohex-2-ene.
What is the SMILES notation for 1-azidohex-2-ene?
The canonical SMILES for 1-azidohex-2-ene is CCCC=CCN=[N+]=[N-].
What is the InChIKey of 1-azidohex-2-ene?
The InChIKey is IPFZBBHPJHKLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-azidohex-2-ene?
1-azidohex-2-ene has a molecular weight of 125.17 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidohex-2-ene is sourced from PubChem (CID 85381379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).