1-(azetidin-2-yl)ethane-1,2-diol

C5H11NO2 — CID 67183508

IUPAC1-(azetidin-2-yl)ethane-1,2-diol
SMILESOCC(O)C1CCN1
InChIInChI=1S/C5H11NO2/c7-3-5(8)4-1-2-6-4/h4-8H,1-3H2
InChIKeyQKIBMIPUOOPQHB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.30
Rot. Bonds2

About 1-(azetidin-2-yl)ethane-1,2-diol

1-(azetidin-2-yl)ethane-1,2-diol (PubChem CID 67183508) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(azetidin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(azetidin-2-yl)ethane-1,2-diol
PubChem CID67183508
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(azetidin-2-yl)ethane-1,2-diol
SMILESOCC(O)C1CCN1
InChIInChI=1S/C5H11NO2/c7-3-5(8)4-1-2-6-4/h4-8H,1-3H2
InChIKeyQKIBMIPUOOPQHB-UHFFFAOYSA-N
XLogP-1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(azetidin-2-yl)ethane-1,2-diol (CID 67183508) is 1-(azetidin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(azetidin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(azetidin-2-yl)ethane-1,2-diol is OCC(O)C1CCN1.
What is the InChIKey of 1-(azetidin-2-yl)ethane-1,2-diol?
The InChIKey is QKIBMIPUOOPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-3-5(8)4-1-2-6-4/h4-8H,1-3H2.
What are the key properties of 1-(azetidin-2-yl)ethane-1,2-diol?
1-(azetidin-2-yl)ethane-1,2-diol has a molecular weight of 117.15 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 67183508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).