1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine

C17H11N — CID 10977264

IUPAC1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine
SMILESC#C/C(=N\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H11N/c1-2-17(16-11-7-4-8-12-16)18-14-13-15-9-5-3-6-10-15/h1,3-12H/b18-17+
InChIKeyUWYMWPYRCRTUAW-ISLYRVAYSA-N
MW229.28 g/mol
LogP3.12
Rot. Bonds1

About 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine

1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine (PubChem CID 10977264) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine
PubChem CID10977264
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine
SMILESC#C/C(=N\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H11N/c1-2-17(16-11-7-4-8-12-16)18-14-13-15-9-5-3-6-10-15/h1,3-12H/b18-17+
InChIKeyUWYMWPYRCRTUAW-ISLYRVAYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine?
The IUPAC name of 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine (CID 10977264) is 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine.
What is the SMILES notation for 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine?
The canonical SMILES for 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine is C#C/C(=N\C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine?
The InChIKey is UWYMWPYRCRTUAW-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-17(16-11-7-4-8-12-16)18-14-13-15-9-5-3-6-10-15/h1,3-12H/b18-17+.
What are the key properties of 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine?
1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine has a molecular weight of 229.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethynyl)prop-2-yn-1-imine is sourced from PubChem (CID 10977264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).