1-(azetidin-3-yl)ethanol;hydrochloride

C5H12ClNO — CID 118703436

IUPAC1-(azetidin-3-yl)ethanol;hydrochloride
SMILESCC(O)C1CNC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4(7)5-2-6-3-5;/h4-7H,2-3H2,1H3;1H
InChIKeyFIBXYBAROLEMTE-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.01
Rot. Bonds1

About 1-(azetidin-3-yl)ethanol;hydrochloride

1-(azetidin-3-yl)ethanol;hydrochloride (PubChem CID 118703436) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 1-(azetidin-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)ethanol;hydrochloride
PubChem CID118703436
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name1-(azetidin-3-yl)ethanol;hydrochloride
SMILESCC(O)C1CNC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4(7)5-2-6-3-5;/h4-7H,2-3H2,1H3;1H
InChIKeyFIBXYBAROLEMTE-UHFFFAOYSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547
1-(azetidin-3-yl)ethanethiol
CID 123520363
3-(1-bromoethyl)azetidine
CID 167740275
3-(difluoromethyl)azetidine;hydrochloride
CID 66653486
(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
CID 129247786
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
tert-butyl formate;1-pyrrolidin-3-ylethanol
CID 175295526
1-(azetidin-3-yl)-2-cyclopropylethanol
CID 105428286
2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
CID 116677692
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
1-(azetidin-3-yl)ethanamine;propan-2-yloxysilane
CID 173050421

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)ethanol;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)ethanol;hydrochloride (CID 118703436) is 1-(azetidin-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)ethanol;hydrochloride is CC(O)C1CNC1.Cl.
What is the InChIKey of 1-(azetidin-3-yl)ethanol;hydrochloride?
The InChIKey is FIBXYBAROLEMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4(7)5-2-6-3-5;/h4-7H,2-3H2,1H3;1H.
What are the key properties of 1-(azetidin-3-yl)ethanol;hydrochloride?
1-(azetidin-3-yl)ethanol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 118703436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).