(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid

C11H15NO3 — CID 166782732

IUPAC(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid
SMILESC/C=C\C(=C/C)C(C(=O)O)N1CCC1=O
InChIInChI=1S/C11H15NO3/c1-3-5-8(4-2)10(11(14)15)12-7-6-9(12)13/h3-5,10H,6-7H2,1-2H3,(H,14,15)/b5-3-,8-4+
InChIKeyRUIXLOIMCDUBTO-VOGDQUTBSA-N
MW209.25 g/mol
LogP1.19
Rot. Bonds4

About (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid

(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid (PubChem CID 166782732) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid
PubChem CID166782732
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid
SMILESC/C=C\C(=C/C)C(C(=O)O)N1CCC1=O
InChIInChI=1S/C11H15NO3/c1-3-5-8(4-2)10(11(14)15)12-7-6-9(12)13/h3-5,10H,6-7H2,1-2H3,(H,14,15)/b5-3-,8-4+
InChIKeyRUIXLOIMCDUBTO-VOGDQUTBSA-N
XLogP1.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid?
The IUPAC name of (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid (CID 166782732) is (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid.
What is the SMILES notation for (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid?
The canonical SMILES for (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid is C/C=C\C(=C/C)C(C(=O)O)N1CCC1=O.
What is the InChIKey of (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid?
The InChIKey is RUIXLOIMCDUBTO-VOGDQUTBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-8(4-2)10(11(14)15)12-7-6-9(12)13/h3-5,10H,6-7H2,1-2H3,(H,14,15)/b5-3-,8-4+.
What are the key properties of (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid?
(Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-2-(2-oxoazetidin-1-yl)hex-4-enoic acid is sourced from PubChem (CID 166782732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).