2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine

C13H17N — CID 87132596

IUPAC2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine
SMILESC=Cc1ccc(CCC2CN2C)cc1
InChIInChI=1S/C13H17N/c1-3-11-4-6-12(7-5-11)8-9-13-10-14(13)2/h3-7,13H,1,8-10H2,2H3
InChIKeyGMWBDARXVTVMFL-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.58
Rot. Bonds4

About 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine

2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine (PubChem CID 87132596) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine.

Molecular Properties

Compound Name2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine
PubChem CID87132596
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine
SMILESC=Cc1ccc(CCC2CN2C)cc1
InChIInChI=1S/C13H17N/c1-3-11-4-6-12(7-5-11)8-9-13-10-14(13)2/h3-7,13H,1,8-10H2,2H3
InChIKeyGMWBDARXVTVMFL-UHFFFAOYSA-N
XLogP2.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine?
The IUPAC name of 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine (CID 87132596) is 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine.
What is the SMILES notation for 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine?
The canonical SMILES for 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine is C=Cc1ccc(CCC2CN2C)cc1.
What is the InChIKey of 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine?
The InChIKey is GMWBDARXVTVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11-4-6-12(7-5-11)8-9-13-10-14(13)2/h3-7,13H,1,8-10H2,2H3.
What are the key properties of 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine?
2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine has a molecular weight of 187.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine is sourced from PubChem (CID 87132596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).