(1-azido-3-phenylpropan-2-yl)selanylbenzene

C15H15N3Se — CID 15094070

IUPAC(1-azido-3-phenylpropan-2-yl)selanylbenzene
SMILES[N-]=[N+]=NCC(Cc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H15N3Se/c16-18-17-12-15(11-13-7-3-1-4-8-13)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyCXKDSZSZNMDJMG-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.36
Rot. Bonds6

About (1-azido-3-phenylpropan-2-yl)selanylbenzene

(1-azido-3-phenylpropan-2-yl)selanylbenzene (PubChem CID 15094070) has the molecular formula C15H15N3Se and a molecular weight of 316.27 g/mol. Its IUPAC name is (1-azido-3-phenylpropan-2-yl)selanylbenzene.

Molecular Properties

Compound Name(1-azido-3-phenylpropan-2-yl)selanylbenzene
PubChem CID15094070
Molecular FormulaC15H15N3Se
Molecular Weight316.27 g/mol
Exact Mass317.04
IUPAC Name(1-azido-3-phenylpropan-2-yl)selanylbenzene
SMILES[N-]=[N+]=NCC(Cc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H15N3Se/c16-18-17-12-15(11-13-7-3-1-4-8-13)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyCXKDSZSZNMDJMG-UHFFFAOYSA-N
XLogP3.36
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.36
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 (1-azido-3-phenylpropan-2-yl)selanylbenzene?
The IUPAC name of (1-azido-3-phenylpropan-2-yl)selanylbenzene (CID 15094070) is (1-azido-3-phenylpropan-2-yl)selanylbenzene.
What is the SMILES notation for (1-azido-3-phenylpropan-2-yl)selanylbenzene?
The canonical SMILES for (1-azido-3-phenylpropan-2-yl)selanylbenzene is [N-]=[N+]=NCC(Cc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (1-azido-3-phenylpropan-2-yl)selanylbenzene?
The InChIKey is CXKDSZSZNMDJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3Se/c16-18-17-12-15(11-13-7-3-1-4-8-13)19-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of (1-azido-3-phenylpropan-2-yl)selanylbenzene?
(1-azido-3-phenylpropan-2-yl)selanylbenzene has a molecular weight of 316.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azido-3-phenylpropan-2-yl)selanylbenzene is sourced from PubChem (CID 15094070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).