3-(2-azidophenyl)-1-phenylprop-2-en-1-one

C15H11N3O — CID 73185774

IUPAC3-(2-azidophenyl)-1-phenylprop-2-en-1-one
SMILES[N-]=[N+]=Nc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C15H11N3O/c16-18-17-14-9-5-4-6-12(14)10-11-15(19)13-7-2-1-3-8-13/h1-11H
InChIKeyNSQOMIFJKCLCNL-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.52
Rot. Bonds4

About 3-(2-azidophenyl)-1-phenylprop-2-en-1-one

3-(2-azidophenyl)-1-phenylprop-2-en-1-one (PubChem CID 73185774) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-azidophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-azidophenyl)-1-phenylprop-2-en-1-one
PubChem CID73185774
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-(2-azidophenyl)-1-phenylprop-2-en-1-one
SMILES[N-]=[N+]=Nc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C15H11N3O/c16-18-17-14-9-5-4-6-12(14)10-11-15(19)13-7-2-1-3-8-13/h1-11H
InChIKeyNSQOMIFJKCLCNL-UHFFFAOYSA-N
XLogP4.52
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azidophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(2-azidophenyl)-1-phenylprop-2-en-1-one (CID 73185774) is 3-(2-azidophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(2-azidophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(2-azidophenyl)-1-phenylprop-2-en-1-one is [N-]=[N+]=Nc1ccccc1C=CC(=O)c1ccccc1.
What is the InChIKey of 3-(2-azidophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is NSQOMIFJKCLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-18-17-14-9-5-4-6-12(14)10-11-15(19)13-7-2-1-3-8-13/h1-11H.
What are the key properties of 3-(2-azidophenyl)-1-phenylprop-2-en-1-one?
3-(2-azidophenyl)-1-phenylprop-2-en-1-one has a molecular weight of 249.27 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 73185774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).