(3-ethoxyazetidin-3-yl)methanol

C6H13NO2 — CID 139026408

IUPAC(3-ethoxyazetidin-3-yl)methanol
SMILESCCOC1(CO)CNC1
InChIInChI=1S/C6H13NO2/c1-2-9-6(5-8)3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyVVIMRBHQYUYQNQ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds3

About (3-ethoxyazetidin-3-yl)methanol

(3-ethoxyazetidin-3-yl)methanol (PubChem CID 139026408) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3-ethoxyazetidin-3-yl)methanol.

Molecular Properties

Compound Name(3-ethoxyazetidin-3-yl)methanol
PubChem CID139026408
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3-ethoxyazetidin-3-yl)methanol
SMILESCCOC1(CO)CNC1
InChIInChI=1S/C6H13NO2/c1-2-9-6(5-8)3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyVVIMRBHQYUYQNQ-UHFFFAOYSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyazetidin-3-yl)methanol?
The IUPAC name of (3-ethoxyazetidin-3-yl)methanol (CID 139026408) is (3-ethoxyazetidin-3-yl)methanol.
What is the SMILES notation for (3-ethoxyazetidin-3-yl)methanol?
The canonical SMILES for (3-ethoxyazetidin-3-yl)methanol is CCOC1(CO)CNC1.
What is the InChIKey of (3-ethoxyazetidin-3-yl)methanol?
The InChIKey is VVIMRBHQYUYQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-9-6(5-8)3-7-4-6/h7-8H,2-5H2,1H3.
What are the key properties of (3-ethoxyazetidin-3-yl)methanol?
(3-ethoxyazetidin-3-yl)methanol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyazetidin-3-yl)methanol is sourced from PubChem (CID 139026408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).