(E)-4-azidopent-2-ene

C5H9N3 — CID 22628667

IUPAC(E)-4-azidopent-2-ene
SMILESC/C=C/C(C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3/c1-3-4-5(2)7-8-6/h3-5H,1-2H3/b4-3+
InChIKeyHQEUAFNCYGNBGX-ONEGZZNKSA-N
MW111.15 g/mol
LogP2.26
Rot. Bonds2

About (E)-4-azidopent-2-ene

(E)-4-azidopent-2-ene (PubChem CID 22628667) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (E)-4-azidopent-2-ene.

Molecular Properties

Compound Name(E)-4-azidopent-2-ene
PubChem CID22628667
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(E)-4-azidopent-2-ene
SMILESC/C=C/C(C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3/c1-3-4-5(2)7-8-6/h3-5H,1-2H3/b4-3+
InChIKeyHQEUAFNCYGNBGX-ONEGZZNKSA-N
XLogP2.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 52.26
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 (E)-4-azidopent-2-ene?
The IUPAC name of (E)-4-azidopent-2-ene (CID 22628667) is (E)-4-azidopent-2-ene.
What is the SMILES notation for (E)-4-azidopent-2-ene?
The canonical SMILES for (E)-4-azidopent-2-ene is C/C=C/C(C)N=[N+]=[N-].
What is the InChIKey of (E)-4-azidopent-2-ene?
The InChIKey is HQEUAFNCYGNBGX-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-4-5(2)7-8-6/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-4-azidopent-2-ene?
(E)-4-azidopent-2-ene has a molecular weight of 111.15 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-azidopent-2-ene is sourced from PubChem (CID 22628667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).