2-azido-2-phenylselenochromene

C15H11N3Se — CID 101135919

IUPAC2-azido-2-phenylselenochromene
SMILES[N-]=[N+]=NC1(c2ccccc2)C=Cc2ccccc2[Se]1
InChIInChI=1S/C15H11N3Se/c16-18-17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)19-15/h1-11H
InChIKeyLGAGHDWGURHJFX-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.21
Rot. Bonds2

About 2-azido-2-phenylselenochromene

2-azido-2-phenylselenochromene (PubChem CID 101135919) has the molecular formula C15H11N3Se and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-azido-2-phenylselenochromene.

Molecular Properties

Compound Name2-azido-2-phenylselenochromene
PubChem CID101135919
Molecular FormulaC15H11N3Se
Molecular Weight312.23 g/mol
Exact Mass313.01
IUPAC Name2-azido-2-phenylselenochromene
SMILES[N-]=[N+]=NC1(c2ccccc2)C=Cc2ccccc2[Se]1
InChIInChI=1S/C15H11N3Se/c16-18-17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)19-15/h1-11H
InChIKeyLGAGHDWGURHJFX-UHFFFAOYSA-N
XLogP3.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.21
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-2-phenylselenochromene?
The IUPAC name of 2-azido-2-phenylselenochromene (CID 101135919) is 2-azido-2-phenylselenochromene.
What is the SMILES notation for 2-azido-2-phenylselenochromene?
The canonical SMILES for 2-azido-2-phenylselenochromene is [N-]=[N+]=NC1(c2ccccc2)C=Cc2ccccc2[Se]1.
What is the InChIKey of 2-azido-2-phenylselenochromene?
The InChIKey is LGAGHDWGURHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3Se/c16-18-17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)19-15/h1-11H.
What are the key properties of 2-azido-2-phenylselenochromene?
2-azido-2-phenylselenochromene has a molecular weight of 312.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-phenylselenochromene is sourced from PubChem (CID 101135919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).