1-(2-methylphenyl)aziridine

C9H11N — CID 23278636

IUPAC1-(2-methylphenyl)aziridine
SMILESCc1ccccc1N1CC1
InChIInChI=1S/C9H11N/c1-8-4-2-3-5-9(8)10-6-7-10/h2-5H,6-7H2,1H3
InChIKeyQYRPJQAYBCRZRJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.82
Rot. Bonds1

About 1-(2-methylphenyl)aziridine

1-(2-methylphenyl)aziridine (PubChem CID 23278636) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(2-methylphenyl)aziridine.

Molecular Properties

Compound Name1-(2-methylphenyl)aziridine
PubChem CID23278636
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1-(2-methylphenyl)aziridine
SMILESCc1ccccc1N1CC1
InChIInChI=1S/C9H11N/c1-8-4-2-3-5-9(8)10-6-7-10/h2-5H,6-7H2,1H3
InChIKeyQYRPJQAYBCRZRJ-UHFFFAOYSA-N
XLogP1.82
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.82
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 1-(2-methylphenyl)aziridine?
The IUPAC name of 1-(2-methylphenyl)aziridine (CID 23278636) is 1-(2-methylphenyl)aziridine.
What is the SMILES notation for 1-(2-methylphenyl)aziridine?
The canonical SMILES for 1-(2-methylphenyl)aziridine is Cc1ccccc1N1CC1.
What is the InChIKey of 1-(2-methylphenyl)aziridine?
The InChIKey is QYRPJQAYBCRZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-8-4-2-3-5-9(8)10-6-7-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-methylphenyl)aziridine?
1-(2-methylphenyl)aziridine has a molecular weight of 133.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)aziridine is sourced from PubChem (CID 23278636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).