3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal

C9H15NO3 — CID 59928441

IUPAC3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal
SMILESCOC(C)C1C(=O)NC1CCC=O
InChIInChI=1S/C9H15NO3/c1-6(13-2)8-7(4-3-5-11)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12)
InChIKeyJUJDECWUMYCMKZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.12
Rot. Bonds5

About 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal

3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal (PubChem CID 59928441) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal.

Molecular Properties

Compound Name3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal
PubChem CID59928441
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal
SMILESCOC(C)C1C(=O)NC1CCC=O
InChIInChI=1S/C9H15NO3/c1-6(13-2)8-7(4-3-5-11)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12)
InChIKeyJUJDECWUMYCMKZ-UHFFFAOYSA-N
XLogP0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal?
The IUPAC name of 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal (CID 59928441) is 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal.
What is the SMILES notation for 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal?
The canonical SMILES for 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal is COC(C)C1C(=O)NC1CCC=O.
What is the InChIKey of 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal?
The InChIKey is JUJDECWUMYCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(13-2)8-7(4-3-5-11)10-9(8)12/h5-8H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal?
3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal has a molecular weight of 185.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxyethyl)-4-oxoazetidin-2-yl]propanal is sourced from PubChem (CID 59928441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).