2-ethyl-3-(2-methylphenyl)aziridine

C11H15N — CID 123378717

IUPAC2-ethyl-3-(2-methylphenyl)aziridine
SMILESCCC1NC1c1ccccc1C
InChIInChI=1S/C11H15N/c1-3-10-11(12-10)9-7-5-4-6-8(9)2/h4-7,10-12H,3H2,1-2H3
InChIKeyADSGCPPGFYFHDQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.42
Rot. Bonds2

About 2-ethyl-3-(2-methylphenyl)aziridine

2-ethyl-3-(2-methylphenyl)aziridine (PubChem CID 123378717) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-ethyl-3-(2-methylphenyl)aziridine.

Molecular Properties

Compound Name2-ethyl-3-(2-methylphenyl)aziridine
PubChem CID123378717
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-ethyl-3-(2-methylphenyl)aziridine
SMILESCCC1NC1c1ccccc1C
InChIInChI=1S/C11H15N/c1-3-10-11(12-10)9-7-5-4-6-8(9)2/h4-7,10-12H,3H2,1-2H3
InChIKeyADSGCPPGFYFHDQ-UHFFFAOYSA-N
XLogP2.42
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-ethyl-3-(2-methylphenyl)aziridine?
The IUPAC name of 2-ethyl-3-(2-methylphenyl)aziridine (CID 123378717) is 2-ethyl-3-(2-methylphenyl)aziridine.
What is the SMILES notation for 2-ethyl-3-(2-methylphenyl)aziridine?
The canonical SMILES for 2-ethyl-3-(2-methylphenyl)aziridine is CCC1NC1c1ccccc1C.
What is the InChIKey of 2-ethyl-3-(2-methylphenyl)aziridine?
The InChIKey is ADSGCPPGFYFHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-10-11(12-10)9-7-5-4-6-8(9)2/h4-7,10-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methylphenyl)aziridine?
2-ethyl-3-(2-methylphenyl)aziridine has a molecular weight of 161.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methylphenyl)aziridine is sourced from PubChem (CID 123378717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).