2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one

C8H15NO2 — CID 130709295

IUPAC2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC1C
InChIInChI=1S/C8H15NO2/c1-6-4-5-9(6)8(10)7(2)11-3/h6-7H,4-5H2,1-3H3
InChIKeySHGIAGZDVQGLLD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one

2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one (PubChem CID 130709295) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
PubChem CID130709295
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC1C
InChIInChI=1S/C8H15NO2/c1-6-4-5-9(6)8(10)7(2)11-3/h6-7H,4-5H2,1-3H3
InChIKeySHGIAGZDVQGLLD-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one (CID 130709295) is 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one is COC(C)C(=O)N1CCC1C.
What is the InChIKey of 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one?
The InChIKey is SHGIAGZDVQGLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-5-9(6)8(10)7(2)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one?
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 130709295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).