1-azido-3-ethenylbenzene

C8H7N3 — CID 10920640

IUPAC1-azido-3-ethenylbenzene
SMILESC=Cc1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C8H7N3/c1-2-7-4-3-5-8(6-7)10-11-9/h2-6H,1H2
InChIKeyDBHYHAZBHLULCT-UHFFFAOYSA-N
MW145.16 g/mol
LogP3.27
Rot. Bonds2

About 1-azido-3-ethenylbenzene

1-azido-3-ethenylbenzene (PubChem CID 10920640) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-azido-3-ethenylbenzene.

Molecular Properties

Compound Name1-azido-3-ethenylbenzene
PubChem CID10920640
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name1-azido-3-ethenylbenzene
SMILESC=Cc1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C8H7N3/c1-2-7-4-3-5-8(6-7)10-11-9/h2-6H,1H2
InChIKeyDBHYHAZBHLULCT-UHFFFAOYSA-N
XLogP3.27
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 53.27
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 1-azido-3-ethenylbenzene 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 1-azido-3-ethenylbenzene?
The IUPAC name of 1-azido-3-ethenylbenzene (CID 10920640) is 1-azido-3-ethenylbenzene.
What is the SMILES notation for 1-azido-3-ethenylbenzene?
The canonical SMILES for 1-azido-3-ethenylbenzene is C=Cc1cccc(N=[N+]=[N-])c1.
What is the InChIKey of 1-azido-3-ethenylbenzene?
The InChIKey is DBHYHAZBHLULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-7-4-3-5-8(6-7)10-11-9/h2-6H,1H2.
What are the key properties of 1-azido-3-ethenylbenzene?
1-azido-3-ethenylbenzene has a molecular weight of 145.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-ethenylbenzene is sourced from PubChem (CID 10920640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).