2-(aziridin-1-yl)ethanol

C4H9NO — CID 14074

IUPAC2-(aziridin-1-yl)ethanol
SMILESOCCN1CC1
InChIInChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2
InChIKeyVYONOYYDEFODAJ-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.71
Rot. Bonds2

About 2-(aziridin-1-yl)ethanol

2-(aziridin-1-yl)ethanol (PubChem CID 14074) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-(aziridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(aziridin-1-yl)ethanol
PubChem CID14074
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-(aziridin-1-yl)ethanol
SMILESOCCN1CC1
InChIInChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2
InChIKeyVYONOYYDEFODAJ-UHFFFAOYSA-N
XLogP-0.71
TPSA23.24 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 ≤ 5-0.71
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-(aziridin-1-yl)ethanol?
The IUPAC name of 2-(aziridin-1-yl)ethanol (CID 14074) is 2-(aziridin-1-yl)ethanol.
What is the SMILES notation for 2-(aziridin-1-yl)ethanol?
The canonical SMILES for 2-(aziridin-1-yl)ethanol is OCCN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)ethanol?
The InChIKey is VYONOYYDEFODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2.
What are the key properties of 2-(aziridin-1-yl)ethanol?
2-(aziridin-1-yl)ethanol has a molecular weight of 87.12 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)ethanol is sourced from PubChem (CID 14074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).