1-(4-aminooxolan-2-yl)ethanol

C6H13NO2 — CID 55291536

IUPAC1-(4-aminooxolan-2-yl)ethanol
SMILESCC(O)C1CC(N)CO1
InChIInChI=1S/C6H13NO2/c1-4(8)6-2-5(7)3-9-6/h4-6,8H,2-3,7H2,1H3
InChIKeyKQHFKGWLMJESHN-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.52
Rot. Bonds1

About 1-(4-aminooxolan-2-yl)ethanol

1-(4-aminooxolan-2-yl)ethanol (PubChem CID 55291536) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-(4-aminooxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminooxolan-2-yl)ethanol
PubChem CID55291536
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-(4-aminooxolan-2-yl)ethanol
SMILESCC(O)C1CC(N)CO1
InChIInChI=1S/C6H13NO2/c1-4(8)6-2-5(7)3-9-6/h4-6,8H,2-3,7H2,1H3
InChIKeyKQHFKGWLMJESHN-UHFFFAOYSA-N
XLogP-0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-2-yl)ethanol?
The IUPAC name of 1-(4-aminooxolan-2-yl)ethanol (CID 55291536) is 1-(4-aminooxolan-2-yl)ethanol.
What is the SMILES notation for 1-(4-aminooxolan-2-yl)ethanol?
The canonical SMILES for 1-(4-aminooxolan-2-yl)ethanol is CC(O)C1CC(N)CO1.
What is the InChIKey of 1-(4-aminooxolan-2-yl)ethanol?
The InChIKey is KQHFKGWLMJESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(8)6-2-5(7)3-9-6/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 1-(4-aminooxolan-2-yl)ethanol?
1-(4-aminooxolan-2-yl)ethanol has a molecular weight of 131.17 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-2-yl)ethanol is sourced from PubChem (CID 55291536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).