2,3-ditert-butyloxaziridine

C9H19NO — CID 15033437

IUPAC2,3-ditert-butyloxaziridine
SMILESCC(C)(C)C1ON1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7-10(11-7)9(4,5)6/h7H,1-6H3
InChIKeyAQFIOYBCOBDBQG-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.40
Rot. Bonds

About 2,3-ditert-butyloxaziridine

2,3-ditert-butyloxaziridine (PubChem CID 15033437) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3-ditert-butyloxaziridine.

Molecular Properties

Compound Name2,3-ditert-butyloxaziridine
PubChem CID15033437
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,3-ditert-butyloxaziridine
SMILESCC(C)(C)C1ON1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7-10(11-7)9(4,5)6/h7H,1-6H3
InChIKeyAQFIOYBCOBDBQG-UHFFFAOYSA-N
XLogP2.40
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.40
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 2,3-ditert-butyloxaziridine?
The IUPAC name of 2,3-ditert-butyloxaziridine (CID 15033437) is 2,3-ditert-butyloxaziridine.
What is the SMILES notation for 2,3-ditert-butyloxaziridine?
The canonical SMILES for 2,3-ditert-butyloxaziridine is CC(C)(C)C1ON1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyloxaziridine?
The InChIKey is AQFIOYBCOBDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)7-10(11-7)9(4,5)6/h7H,1-6H3.
What are the key properties of 2,3-ditert-butyloxaziridine?
2,3-ditert-butyloxaziridine has a molecular weight of 157.26 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyloxaziridine is sourced from PubChem (CID 15033437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).