2-ethoxyaziridine

C4H9NO — CID 12603538

IUPAC2-ethoxyaziridine
SMILESCCOC1CN1
InChIInChI=1S/C4H9NO/c1-2-6-4-3-5-4/h4-5H,2-3H2,1H3
InChIKeyLSZMMHNRGOMHFO-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.05
Rot. Bonds2

About 2-ethoxyaziridine

2-ethoxyaziridine (PubChem CID 12603538) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-ethoxyaziridine.

Molecular Properties

Compound Name2-ethoxyaziridine
PubChem CID12603538
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-ethoxyaziridine
SMILESCCOC1CN1
InChIInChI=1S/C4H9NO/c1-2-6-4-3-5-4/h4-5H,2-3H2,1H3
InChIKeyLSZMMHNRGOMHFO-UHFFFAOYSA-N
XLogP-0.05
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.05
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-ethoxyaziridine?
The IUPAC name of 2-ethoxyaziridine (CID 12603538) is 2-ethoxyaziridine.
What is the SMILES notation for 2-ethoxyaziridine?
The canonical SMILES for 2-ethoxyaziridine is CCOC1CN1.
What is the InChIKey of 2-ethoxyaziridine?
The InChIKey is LSZMMHNRGOMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-6-4-3-5-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethoxyaziridine?
2-ethoxyaziridine has a molecular weight of 87.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyaziridine is sourced from PubChem (CID 12603538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).