2-[1-(2-ethenylphenyl)ethyl]aziridine

C12H15N — CID 87162627

IUPAC2-[1-(2-ethenylphenyl)ethyl]aziridine
SMILESC=Cc1ccccc1C(C)C1CN1
InChIInChI=1S/C12H15N/c1-3-10-6-4-5-7-11(10)9(2)12-8-13-12/h3-7,9,12-13H,1,8H2,2H3
InChIKeyFMDWZEJGAPOWSY-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.40
Rot. Bonds3

About 2-[1-(2-ethenylphenyl)ethyl]aziridine

2-[1-(2-ethenylphenyl)ethyl]aziridine (PubChem CID 87162627) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[1-(2-ethenylphenyl)ethyl]aziridine.

Molecular Properties

Compound Name2-[1-(2-ethenylphenyl)ethyl]aziridine
PubChem CID87162627
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-[1-(2-ethenylphenyl)ethyl]aziridine
SMILESC=Cc1ccccc1C(C)C1CN1
InChIInChI=1S/C12H15N/c1-3-10-6-4-5-7-11(10)9(2)12-8-13-12/h3-7,9,12-13H,1,8H2,2H3
InChIKeyFMDWZEJGAPOWSY-UHFFFAOYSA-N
XLogP2.40
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[1-(2-ethenylphenyl)ethyl]aziridine 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-[1-(2-ethenylphenyl)ethyl]aziridine?
The IUPAC name of 2-[1-(2-ethenylphenyl)ethyl]aziridine (CID 87162627) is 2-[1-(2-ethenylphenyl)ethyl]aziridine.
What is the SMILES notation for 2-[1-(2-ethenylphenyl)ethyl]aziridine?
The canonical SMILES for 2-[1-(2-ethenylphenyl)ethyl]aziridine is C=Cc1ccccc1C(C)C1CN1.
What is the InChIKey of 2-[1-(2-ethenylphenyl)ethyl]aziridine?
The InChIKey is FMDWZEJGAPOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-10-6-4-5-7-11(10)9(2)12-8-13-12/h3-7,9,12-13H,1,8H2,2H3.
What are the key properties of 2-[1-(2-ethenylphenyl)ethyl]aziridine?
2-[1-(2-ethenylphenyl)ethyl]aziridine has a molecular weight of 173.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethenylphenyl)ethyl]aziridine is sourced from PubChem (CID 87162627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).