2-(2-methoxyethyl)aziridine

C5H11NO — CID 18759236

IUPAC2-(2-methoxyethyl)aziridine
SMILESCOCCC1CN1
InChIInChI=1S/C5H11NO/c1-7-3-2-5-4-6-5/h5-6H,2-4H2,1H3
InChIKeyWMQHYNLSIRBBHY-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.01
Rot. Bonds3

About 2-(2-methoxyethyl)aziridine

2-(2-methoxyethyl)aziridine (PubChem CID 18759236) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(2-methoxyethyl)aziridine.

Molecular Properties

Compound Name2-(2-methoxyethyl)aziridine
PubChem CID18759236
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-(2-methoxyethyl)aziridine
SMILESCOCCC1CN1
InChIInChI=1S/C5H11NO/c1-7-3-2-5-4-6-5/h5-6H,2-4H2,1H3
InChIKeyWMQHYNLSIRBBHY-UHFFFAOYSA-N
XLogP-0.01
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.01
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-methoxyethyl)aziridine?
The IUPAC name of 2-(2-methoxyethyl)aziridine (CID 18759236) is 2-(2-methoxyethyl)aziridine.
What is the SMILES notation for 2-(2-methoxyethyl)aziridine?
The canonical SMILES for 2-(2-methoxyethyl)aziridine is COCCC1CN1.
What is the InChIKey of 2-(2-methoxyethyl)aziridine?
The InChIKey is WMQHYNLSIRBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-3-2-5-4-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2-methoxyethyl)aziridine?
2-(2-methoxyethyl)aziridine has a molecular weight of 101.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)aziridine is sourced from PubChem (CID 18759236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).