[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate

C14H15NO4 — CID 171345649

IUPAC[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate
SMILESCC(O)C1C(=O)NC1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(16)12-13(18)15-14(12)19-11(17)8-7-10-5-3-2-4-6-10/h2-9,12,14,16H,1H3,(H,15,18)/b8-7+
InChIKeyWSIXTRALQNPHFZ-BQYQJAHWSA-N
MW261.28 g/mol
LogP0.70
Rot. Bonds4

About [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate

[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate (PubChem CID 171345649) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate
PubChem CID171345649
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate
SMILESCC(O)C1C(=O)NC1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H15NO4/c1-9(16)12-13(18)15-14(12)19-11(17)8-7-10-5-3-2-4-6-10/h2-9,12,14,16H,1H3,(H,15,18)/b8-7+
InChIKeyWSIXTRALQNPHFZ-BQYQJAHWSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate (CID 171345649) is [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate is CC(O)C1C(=O)NC1OC(=O)/C=C/c1ccccc1.
What is the InChIKey of [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate?
The InChIKey is WSIXTRALQNPHFZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(16)12-13(18)15-14(12)19-11(17)8-7-10-5-3-2-4-6-10/h2-9,12,14,16H,1H3,(H,15,18)/b8-7+.
What are the key properties of [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate?
[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate has a molecular weight of 261.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 171345649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).