2-(methoxymethyl)aziridine

C4H9NO — CID 21490223

IUPAC2-(methoxymethyl)aziridine
SMILESCOCC1CN1
InChIInChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3
InChIKeyXQNDKJMNSGZUOB-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.40
Rot. Bonds2

About 2-(methoxymethyl)aziridine

2-(methoxymethyl)aziridine (PubChem CID 21490223) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-(methoxymethyl)aziridine.

Molecular Properties

Compound Name2-(methoxymethyl)aziridine
PubChem CID21490223
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-(methoxymethyl)aziridine
SMILESCOCC1CN1
InChIInChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3
InChIKeyXQNDKJMNSGZUOB-UHFFFAOYSA-N
XLogP-0.40
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 ≤ 5-0.40
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-(methoxymethyl)aziridine?
The IUPAC name of 2-(methoxymethyl)aziridine (CID 21490223) is 2-(methoxymethyl)aziridine.
What is the SMILES notation for 2-(methoxymethyl)aziridine?
The canonical SMILES for 2-(methoxymethyl)aziridine is COCC1CN1.
What is the InChIKey of 2-(methoxymethyl)aziridine?
The InChIKey is XQNDKJMNSGZUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-(methoxymethyl)aziridine?
2-(methoxymethyl)aziridine has a molecular weight of 87.12 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)aziridine is sourced from PubChem (CID 21490223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).