(E)-1-azidobut-1-ene

C4H7N3 — CID 131238126

IUPAC(E)-1-azidobut-1-ene
SMILESCC/C=C/N=[N+]=[N-]
InChIInChI=1S/C4H7N3/c1-2-3-4-6-7-5/h3-4H,2H2,1H3/b4-3+
InChIKeyUTHLVCPXHRRTSI-ONEGZZNKSA-N
MW97.12 g/mol
LogP2.22
Rot. Bonds2

About (E)-1-azidobut-1-ene

(E)-1-azidobut-1-ene (PubChem CID 131238126) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is (E)-1-azidobut-1-ene.

Molecular Properties

Compound Name(E)-1-azidobut-1-ene
PubChem CID131238126
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name(E)-1-azidobut-1-ene
SMILESCC/C=C/N=[N+]=[N-]
InChIInChI=1S/C4H7N3/c1-2-3-4-6-7-5/h3-4H,2H2,1H3/b4-3+
InChIKeyUTHLVCPXHRRTSI-ONEGZZNKSA-N
XLogP2.22
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 52.22
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (E)-1-azidobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-azidobut-1-ene?
The IUPAC name of (E)-1-azidobut-1-ene (CID 131238126) is (E)-1-azidobut-1-ene.
What is the SMILES notation for (E)-1-azidobut-1-ene?
The canonical SMILES for (E)-1-azidobut-1-ene is CC/C=C/N=[N+]=[N-].
What is the InChIKey of (E)-1-azidobut-1-ene?
The InChIKey is UTHLVCPXHRRTSI-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-3-4-6-7-5/h3-4H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-azidobut-1-ene?
(E)-1-azidobut-1-ene has a molecular weight of 97.12 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-azidobut-1-ene is sourced from PubChem (CID 131238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).