methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate

C7H9NO3 — CID 54242432

IUPACmethyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1CC(=O)N1
InChIInChI=1S/C7H9NO3/c1-4(7(10)11-2)5-3-6(9)8-5/h5H,1,3H2,2H3,(H,8,9)
InChIKeyQQYKZILAJWUBPJ-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.40
Rot. Bonds2

About methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate

methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate (PubChem CID 54242432) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
PubChem CID54242432
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1CC(=O)N1
InChIInChI=1S/C7H9NO3/c1-4(7(10)11-2)5-3-6(9)8-5/h5H,1,3H2,2H3,(H,8,9)
InChIKeyQQYKZILAJWUBPJ-UHFFFAOYSA-N
XLogP-0.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate?
The IUPAC name of methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate (CID 54242432) is methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate is C=C(C(=O)OC)C1CC(=O)N1.
What is the InChIKey of methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate?
The InChIKey is QQYKZILAJWUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(7(10)11-2)5-3-6(9)8-5/h5H,1,3H2,2H3,(H,8,9).
What are the key properties of methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate?
methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate has a molecular weight of 155.15 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate is sourced from PubChem (CID 54242432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).