2-tert-butyl-3-pyridin-3-yloxaziridine

C10H14N2O — CID 10797418

IUPAC2-tert-butyl-3-pyridin-3-yloxaziridine
SMILESCC(C)(C)N1OC1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-9(13-12)8-5-4-6-11-7-8/h4-7,9H,1-3H3
InChIKeyAZEDDCNTXWIUEE-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.13
Rot. Bonds1

About 2-tert-butyl-3-pyridin-3-yloxaziridine

2-tert-butyl-3-pyridin-3-yloxaziridine (PubChem CID 10797418) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-tert-butyl-3-pyridin-3-yloxaziridine.

Molecular Properties

Compound Name2-tert-butyl-3-pyridin-3-yloxaziridine
PubChem CID10797418
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-tert-butyl-3-pyridin-3-yloxaziridine
SMILESCC(C)(C)N1OC1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-9(13-12)8-5-4-6-11-7-8/h4-7,9H,1-3H3
InChIKeyAZEDDCNTXWIUEE-UHFFFAOYSA-N
XLogP2.13
TPSA28.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyridin-3-yloxaziridine?
The IUPAC name of 2-tert-butyl-3-pyridin-3-yloxaziridine (CID 10797418) is 2-tert-butyl-3-pyridin-3-yloxaziridine.
What is the SMILES notation for 2-tert-butyl-3-pyridin-3-yloxaziridine?
The canonical SMILES for 2-tert-butyl-3-pyridin-3-yloxaziridine is CC(C)(C)N1OC1c1cccnc1.
What is the InChIKey of 2-tert-butyl-3-pyridin-3-yloxaziridine?
The InChIKey is AZEDDCNTXWIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)12-9(13-12)8-5-4-6-11-7-8/h4-7,9H,1-3H3.
What are the key properties of 2-tert-butyl-3-pyridin-3-yloxaziridine?
2-tert-butyl-3-pyridin-3-yloxaziridine has a molecular weight of 178.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-pyridin-3-yloxaziridine is sourced from PubChem (CID 10797418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).