2-(ethenoxymethyl)aziridine

C5H9NO — CID 22238533

IUPAC2-(ethenoxymethyl)aziridine
SMILESC=COCC1CN1
InChIInChI=1S/C5H9NO/c1-2-7-4-5-3-6-5/h2,5-6H,1,3-4H2
InChIKeyZRCHFWJSODQKSV-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.12
Rot. Bonds3

About 2-(ethenoxymethyl)aziridine

2-(ethenoxymethyl)aziridine (PubChem CID 22238533) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(ethenoxymethyl)aziridine.

Molecular Properties

Compound Name2-(ethenoxymethyl)aziridine
PubChem CID22238533
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(ethenoxymethyl)aziridine
SMILESC=COCC1CN1
InChIInChI=1S/C5H9NO/c1-2-7-4-5-3-6-5/h2,5-6H,1,3-4H2
InChIKeyZRCHFWJSODQKSV-UHFFFAOYSA-N
XLogP0.12
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)aziridine?
The IUPAC name of 2-(ethenoxymethyl)aziridine (CID 22238533) is 2-(ethenoxymethyl)aziridine.
What is the SMILES notation for 2-(ethenoxymethyl)aziridine?
The canonical SMILES for 2-(ethenoxymethyl)aziridine is C=COCC1CN1.
What is the InChIKey of 2-(ethenoxymethyl)aziridine?
The InChIKey is ZRCHFWJSODQKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-7-4-5-3-6-5/h2,5-6H,1,3-4H2.
What are the key properties of 2-(ethenoxymethyl)aziridine?
2-(ethenoxymethyl)aziridine has a molecular weight of 99.13 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)aziridine is sourced from PubChem (CID 22238533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).