1-(1-azidoethenyl)naphthalene

C12H9N3 — CID 135041089

IUPAC1-(1-azidoethenyl)naphthalene
SMILESC=C(N=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C12H9N3/c1-9(14-15-13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2
InChIKeyHJTMLKUQGRHHBV-UHFFFAOYSA-N
MW195.22 g/mol
LogP4.12
Rot. Bonds2

About 1-(1-azidoethenyl)naphthalene

1-(1-azidoethenyl)naphthalene (PubChem CID 135041089) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(1-azidoethenyl)naphthalene.

Molecular Properties

Compound Name1-(1-azidoethenyl)naphthalene
PubChem CID135041089
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name1-(1-azidoethenyl)naphthalene
SMILESC=C(N=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C12H9N3/c1-9(14-15-13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2
InChIKeyHJTMLKUQGRHHBV-UHFFFAOYSA-N
XLogP4.12
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 54.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azidoethenyl)naphthalene?
The IUPAC name of 1-(1-azidoethenyl)naphthalene (CID 135041089) is 1-(1-azidoethenyl)naphthalene.
What is the SMILES notation for 1-(1-azidoethenyl)naphthalene?
The canonical SMILES for 1-(1-azidoethenyl)naphthalene is C=C(N=[N+]=[N-])c1cccc2ccccc12.
What is the InChIKey of 1-(1-azidoethenyl)naphthalene?
The InChIKey is HJTMLKUQGRHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-9(14-15-13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2.
What are the key properties of 1-(1-azidoethenyl)naphthalene?
1-(1-azidoethenyl)naphthalene has a molecular weight of 195.22 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidoethenyl)naphthalene is sourced from PubChem (CID 135041089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).