2-phenyl-2H-azirine

C8H7N — CID 11251378

IUPAC2-phenyl-2H-azirine
SMILESC1=NC1c1ccccc1
InChIInChI=1S/C8H7N/c1-2-4-7(5-3-1)8-6-9-8/h1-6,8H
InChIKeyWROCIVNBWVYABM-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.81
Rot. Bonds1

About 2-phenyl-2H-azirine

2-phenyl-2H-azirine (PubChem CID 11251378) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-phenyl-2H-azirine.

Molecular Properties

Compound Name2-phenyl-2H-azirine
PubChem CID11251378
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name2-phenyl-2H-azirine
SMILESC1=NC1c1ccccc1
InChIInChI=1S/C8H7N/c1-2-4-7(5-3-1)8-6-9-8/h1-6,8H
InChIKeyWROCIVNBWVYABM-UHFFFAOYSA-N
XLogP1.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-2H-azirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2H-azirine?
The IUPAC name of 2-phenyl-2H-azirine (CID 11251378) is 2-phenyl-2H-azirine.
What is the SMILES notation for 2-phenyl-2H-azirine?
The canonical SMILES for 2-phenyl-2H-azirine is C1=NC1c1ccccc1.
What is the InChIKey of 2-phenyl-2H-azirine?
The InChIKey is WROCIVNBWVYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-7(5-3-1)8-6-9-8/h1-6,8H.
What are the key properties of 2-phenyl-2H-azirine?
2-phenyl-2H-azirine has a molecular weight of 117.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-azirine is sourced from PubChem (CID 11251378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).