aziridin-2-yl(ethoxy)methanol

C5H11NO2 — CID 163643755

IUPACaziridin-2-yl(ethoxy)methanol
SMILESCCOC(O)C1CN1
InChIInChI=1S/C5H11NO2/c1-2-8-5(7)4-3-6-4/h4-7H,2-3H2,1H3
InChIKeyIGMFANDKNJWUPX-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.69
Rot. Bonds3

About aziridin-2-yl(ethoxy)methanol

aziridin-2-yl(ethoxy)methanol (PubChem CID 163643755) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is aziridin-2-yl(ethoxy)methanol.

Molecular Properties

Compound Nameaziridin-2-yl(ethoxy)methanol
PubChem CID163643755
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameaziridin-2-yl(ethoxy)methanol
SMILESCCOC(O)C1CN1
InChIInChI=1S/C5H11NO2/c1-2-8-5(7)4-3-6-4/h4-7H,2-3H2,1H3
InChIKeyIGMFANDKNJWUPX-UHFFFAOYSA-N
XLogP-0.69
TPSA51.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aziridin-2-yl(ethoxy)methanol?
The IUPAC name of aziridin-2-yl(ethoxy)methanol (CID 163643755) is aziridin-2-yl(ethoxy)methanol.
What is the SMILES notation for aziridin-2-yl(ethoxy)methanol?
The canonical SMILES for aziridin-2-yl(ethoxy)methanol is CCOC(O)C1CN1.
What is the InChIKey of aziridin-2-yl(ethoxy)methanol?
The InChIKey is IGMFANDKNJWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-8-5(7)4-3-6-4/h4-7H,2-3H2,1H3.
What are the key properties of aziridin-2-yl(ethoxy)methanol?
aziridin-2-yl(ethoxy)methanol has a molecular weight of 117.15 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-yl(ethoxy)methanol is sourced from PubChem (CID 163643755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).