2-tert-butyl-3-ethyloxaziridine

C7H15NO — CID 21280110

IUPAC2-tert-butyl-3-ethyloxaziridine
SMILESCCC1ON1C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-6-8(9-6)7(2,3)4/h6H,5H2,1-4H3
InChIKeyXBAOPHOCAKSNMY-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.77
Rot. Bonds1

About 2-tert-butyl-3-ethyloxaziridine

2-tert-butyl-3-ethyloxaziridine (PubChem CID 21280110) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyloxaziridine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyloxaziridine
PubChem CID21280110
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-tert-butyl-3-ethyloxaziridine
SMILESCCC1ON1C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-6-8(9-6)7(2,3)4/h6H,5H2,1-4H3
InChIKeyXBAOPHOCAKSNMY-UHFFFAOYSA-N
XLogP1.77
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butyl-3-ethyloxaziridine?
The IUPAC name of 2-tert-butyl-3-ethyloxaziridine (CID 21280110) is 2-tert-butyl-3-ethyloxaziridine.
What is the SMILES notation for 2-tert-butyl-3-ethyloxaziridine?
The canonical SMILES for 2-tert-butyl-3-ethyloxaziridine is CCC1ON1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethyloxaziridine?
The InChIKey is XBAOPHOCAKSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6-8(9-6)7(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyloxaziridine?
2-tert-butyl-3-ethyloxaziridine has a molecular weight of 129.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyloxaziridine is sourced from PubChem (CID 21280110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).