2-[(2-methylpropan-2-yl)oxy]aziridine

C6H13NO — CID 88710315

IUPAC2-[(2-methylpropan-2-yl)oxy]aziridine
SMILESCC(C)(C)OC1CN1
InChIInChI=1S/C6H13NO/c1-6(2,3)8-5-4-7-5/h5,7H,4H2,1-3H3
InChIKeyMIYZSHWWILJVGW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.73
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]aziridine

2-[(2-methylpropan-2-yl)oxy]aziridine (PubChem CID 88710315) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]aziridine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]aziridine
PubChem CID88710315
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]aziridine
SMILESCC(C)(C)OC1CN1
InChIInChI=1S/C6H13NO/c1-6(2,3)8-5-4-7-5/h5,7H,4H2,1-3H3
InChIKeyMIYZSHWWILJVGW-UHFFFAOYSA-N
XLogP0.73
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.73
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-[(2-methylpropan-2-yl)oxy]aziridine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]aziridine (CID 88710315) is 2-[(2-methylpropan-2-yl)oxy]aziridine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]aziridine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]aziridine is CC(C)(C)OC1CN1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]aziridine?
The InChIKey is MIYZSHWWILJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2,3)8-5-4-7-5/h5,7H,4H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]aziridine?
2-[(2-methylpropan-2-yl)oxy]aziridine has a molecular weight of 115.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]aziridine is sourced from PubChem (CID 88710315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).