azetidin-3-ylmethanol;hydrochloride

C4H10ClNO — CID 24801400

IUPACazetidin-3-ylmethanol;hydrochloride
SMILESCl.OCC1CNC1
InChIInChI=1S/C4H9NO.ClH/c6-3-4-1-5-2-4;/h4-6H,1-3H2;1H
InChIKeyAQUVQGSNKVDBBF-UHFFFAOYSA-N
MW123.58 g/mol
LogP-0.38
Rot. Bonds1

About azetidin-3-ylmethanol;hydrochloride

azetidin-3-ylmethanol;hydrochloride (PubChem CID 24801400) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is azetidin-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Nameazetidin-3-ylmethanol;hydrochloride
PubChem CID24801400
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Nameazetidin-3-ylmethanol;hydrochloride
SMILESCl.OCC1CNC1
InChIInChI=1S/C4H9NO.ClH/c6-3-4-1-5-2-4;/h4-6H,1-3H2;1H
InChIKeyAQUVQGSNKVDBBF-UHFFFAOYSA-N
XLogP-0.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Azetidin-3-yl)methanol
CID 13400658
2-(Azetidin-3-yl)ethan-1-ol
CID 19888391
(3-(Hydroxymethyl)azetidin-3-yl)methanol hydrochloride
CID 24801399
(3-Fluoroazetidin-3-yl)methanol
CID 53302277
2-(Azetidin-3-yl)ethan-1-ol hydrochloride
CID 55288038
(2R)-2-methyl-3-(methylamino)propan-1-ol
CID 58246775
(3-Methylazetidin-3-yl)methanol hydrochloride
CID 89808882
[3-(Fluoromethyl)azetidin-3-yl]methanol hydrochloride
CID 167740392
(2S)-2-methyl-3-(methylamino)propan-1-ol
CID 55288272
3,3-Di(hydroxymethyl)azetidine
CID 21463402
(3-Methyl-3-azetidinyl)methanol
CID 89808883
[3-(Fluoromethyl)azetidin-3-yl]methanol
CID 135395937

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethanol;hydrochloride?
The IUPAC name of azetidin-3-ylmethanol;hydrochloride (CID 24801400) is azetidin-3-ylmethanol;hydrochloride.
What is the SMILES notation for azetidin-3-ylmethanol;hydrochloride?
The canonical SMILES for azetidin-3-ylmethanol;hydrochloride is Cl.OCC1CNC1.
What is the InChIKey of azetidin-3-ylmethanol;hydrochloride?
The InChIKey is AQUVQGSNKVDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c6-3-4-1-5-2-4;/h4-6H,1-3H2;1H.
What are the key properties of azetidin-3-ylmethanol;hydrochloride?
azetidin-3-ylmethanol;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylmethanol;hydrochloride is sourced from PubChem (CID 24801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).