2-ethyl-3-propan-2-yloxyaziridine

C7H15NO — CID 88623824

IUPAC2-ethyl-3-propan-2-yloxyaziridine
SMILESCCC1NC1OC(C)C
InChIInChI=1S/C7H15NO/c1-4-6-7(8-6)9-5(2)3/h5-8H,4H2,1-3H3
InChIKeyYINIVFMEOJLYIC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds3

About 2-ethyl-3-propan-2-yloxyaziridine

2-ethyl-3-propan-2-yloxyaziridine (PubChem CID 88623824) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yloxyaziridine.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yloxyaziridine
PubChem CID88623824
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-ethyl-3-propan-2-yloxyaziridine
SMILESCCC1NC1OC(C)C
InChIInChI=1S/C7H15NO/c1-4-6-7(8-6)9-5(2)3/h5-8H,4H2,1-3H3
InChIKeyYINIVFMEOJLYIC-UHFFFAOYSA-N
XLogP1.12
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
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-ethyl-3-propan-2-yloxyaziridine?
The IUPAC name of 2-ethyl-3-propan-2-yloxyaziridine (CID 88623824) is 2-ethyl-3-propan-2-yloxyaziridine.
What is the SMILES notation for 2-ethyl-3-propan-2-yloxyaziridine?
The canonical SMILES for 2-ethyl-3-propan-2-yloxyaziridine is CCC1NC1OC(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yloxyaziridine?
The InChIKey is YINIVFMEOJLYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6-7(8-6)9-5(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yloxyaziridine?
2-ethyl-3-propan-2-yloxyaziridine has a molecular weight of 129.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yloxyaziridine is sourced from PubChem (CID 88623824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).