2-(4-oxoazetidin-2-yl)propyl acetate

C8H13NO3 — CID 15573266

IUPAC2-(4-oxoazetidin-2-yl)propyl acetate
SMILESCC(=O)OCC(C)C1CC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(4-12-6(2)10)7-3-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)
InChIKeyCOEVCVNEWNQPFN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds3

About 2-(4-oxoazetidin-2-yl)propyl acetate

2-(4-oxoazetidin-2-yl)propyl acetate (PubChem CID 15573266) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(4-oxoazetidin-2-yl)propyl acetate.

Molecular Properties

Compound Name2-(4-oxoazetidin-2-yl)propyl acetate
PubChem CID15573266
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(4-oxoazetidin-2-yl)propyl acetate
SMILESCC(=O)OCC(C)C1CC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(4-12-6(2)10)7-3-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)
InChIKeyCOEVCVNEWNQPFN-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoazetidin-2-yl)propyl acetate?
The IUPAC name of 2-(4-oxoazetidin-2-yl)propyl acetate (CID 15573266) is 2-(4-oxoazetidin-2-yl)propyl acetate.
What is the SMILES notation for 2-(4-oxoazetidin-2-yl)propyl acetate?
The canonical SMILES for 2-(4-oxoazetidin-2-yl)propyl acetate is CC(=O)OCC(C)C1CC(=O)N1.
What is the InChIKey of 2-(4-oxoazetidin-2-yl)propyl acetate?
The InChIKey is COEVCVNEWNQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(4-12-6(2)10)7-3-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 2-(4-oxoazetidin-2-yl)propyl acetate?
2-(4-oxoazetidin-2-yl)propyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoazetidin-2-yl)propyl acetate is sourced from PubChem (CID 15573266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).