[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol

C7H15NO — CID 58977522

IUPAC[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol
SMILESCCC1CN(C)[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-3-6-4-8(2)7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyFQYJYYUITXOFKB-COBSHVIPSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds2

About [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol

[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol (PubChem CID 58977522) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol
PubChem CID58977522
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol
SMILESCCC1CN(C)[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-3-6-4-8(2)7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyFQYJYYUITXOFKB-COBSHVIPSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol?
The IUPAC name of [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol (CID 58977522) is [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol.
What is the SMILES notation for [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol?
The canonical SMILES for [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol is CCC1CN(C)[C@@H]1CO.
What is the InChIKey of [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol?
The InChIKey is FQYJYYUITXOFKB-COBSHVIPSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-4-8(2)7(6)5-9/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol?
[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-ethyl-1-methylazetidin-2-yl]methanol is sourced from PubChem (CID 58977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).