(3-methoxyazetidin-3-yl)methanol

C5H11NO2 — CID 105427104

IUPAC(3-methoxyazetidin-3-yl)methanol
SMILESCOC1(CO)CNC1
InChIInChI=1S/C5H11NO2/c1-8-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3
InChIKeyJANABEYEOJKUTR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.03
Rot. Bonds2

About (3-methoxyazetidin-3-yl)methanol

(3-methoxyazetidin-3-yl)methanol (PubChem CID 105427104) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3-methoxyazetidin-3-yl)methanol.

Molecular Properties

Compound Name(3-methoxyazetidin-3-yl)methanol
PubChem CID105427104
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3-methoxyazetidin-3-yl)methanol
SMILESCOC1(CO)CNC1
InChIInChI=1S/C5H11NO2/c1-8-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3
InChIKeyJANABEYEOJKUTR-UHFFFAOYSA-N
XLogP-1.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-3-yl)methanol?
The IUPAC name of (3-methoxyazetidin-3-yl)methanol (CID 105427104) is (3-methoxyazetidin-3-yl)methanol.
What is the SMILES notation for (3-methoxyazetidin-3-yl)methanol?
The canonical SMILES for (3-methoxyazetidin-3-yl)methanol is COC1(CO)CNC1.
What is the InChIKey of (3-methoxyazetidin-3-yl)methanol?
The InChIKey is JANABEYEOJKUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-8-5(4-7)2-6-3-5/h6-7H,2-4H2,1H3.
What are the key properties of (3-methoxyazetidin-3-yl)methanol?
(3-methoxyazetidin-3-yl)methanol has a molecular weight of 117.15 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-3-yl)methanol is sourced from PubChem (CID 105427104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).