[(Z)-1-azido-2-methoxyethenyl]benzene

C9H9N3O — CID 14088932

IUPAC[(Z)-1-azido-2-methoxyethenyl]benzene
SMILESCO/C=C(\N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H9N3O/c1-13-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyBRUWNDAMCRYAOW-CLFYSBASSA-N
MW175.19 g/mol
LogP2.94
Rot. Bonds3

About [(Z)-1-azido-2-methoxyethenyl]benzene

[(Z)-1-azido-2-methoxyethenyl]benzene (PubChem CID 14088932) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is [(Z)-1-azido-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-azido-2-methoxyethenyl]benzene
PubChem CID14088932
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name[(Z)-1-azido-2-methoxyethenyl]benzene
SMILESCO/C=C(\N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H9N3O/c1-13-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyBRUWNDAMCRYAOW-CLFYSBASSA-N
XLogP2.94
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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 [(Z)-1-azido-2-methoxyethenyl]benzene 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 [(Z)-1-azido-2-methoxyethenyl]benzene?
The IUPAC name of [(Z)-1-azido-2-methoxyethenyl]benzene (CID 14088932) is [(Z)-1-azido-2-methoxyethenyl]benzene.
What is the SMILES notation for [(Z)-1-azido-2-methoxyethenyl]benzene?
The canonical SMILES for [(Z)-1-azido-2-methoxyethenyl]benzene is CO/C=C(\N=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(Z)-1-azido-2-methoxyethenyl]benzene?
The InChIKey is BRUWNDAMCRYAOW-CLFYSBASSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of [(Z)-1-azido-2-methoxyethenyl]benzene?
[(Z)-1-azido-2-methoxyethenyl]benzene has a molecular weight of 175.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-azido-2-methoxyethenyl]benzene is sourced from PubChem (CID 14088932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).