2-propan-2-yloxyaziridine

C5H11NO — CID 88624051

IUPAC2-propan-2-yloxyaziridine
SMILESCC(C)OC1CN1
InChIInChI=1S/C5H11NO/c1-4(2)7-5-3-6-5/h4-6H,3H2,1-2H3
InChIKeyCJOHYTHHPFPNGJ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.34
Rot. Bonds2

About 2-propan-2-yloxyaziridine

2-propan-2-yloxyaziridine (PubChem CID 88624051) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-propan-2-yloxyaziridine.

Molecular Properties

Compound Name2-propan-2-yloxyaziridine
PubChem CID88624051
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-propan-2-yloxyaziridine
SMILESCC(C)OC1CN1
InChIInChI=1S/C5H11NO/c1-4(2)7-5-3-6-5/h4-6H,3H2,1-2H3
InChIKeyCJOHYTHHPFPNGJ-UHFFFAOYSA-N
XLogP0.34
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
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-propan-2-yloxyaziridine?
The IUPAC name of 2-propan-2-yloxyaziridine (CID 88624051) is 2-propan-2-yloxyaziridine.
What is the SMILES notation for 2-propan-2-yloxyaziridine?
The canonical SMILES for 2-propan-2-yloxyaziridine is CC(C)OC1CN1.
What is the InChIKey of 2-propan-2-yloxyaziridine?
The InChIKey is CJOHYTHHPFPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)7-5-3-6-5/h4-6H,3H2,1-2H3.
What are the key properties of 2-propan-2-yloxyaziridine?
2-propan-2-yloxyaziridine has a molecular weight of 101.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyaziridine is sourced from PubChem (CID 88624051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).