[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate

C14H15NO4 — CID 12050447

IUPAC[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
SMILESC/C=C1\C(=O)N(c2ccc(OC)cc2)C1OC(C)=O
InChIInChI=1S/C14H15NO4/c1-4-12-13(17)15(14(12)19-9(2)16)10-5-7-11(18-3)8-6-10/h4-8,14H,1-3H3/b12-4+
InChIKeyBEHSNOIVFUYAOB-UUILKARUSA-N
MW261.28 g/mol
LogP1.88
Rot. Bonds3

About [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate

[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 12050447) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
PubChem CID12050447
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate
SMILESC/C=C1\C(=O)N(c2ccc(OC)cc2)C1OC(C)=O
InChIInChI=1S/C14H15NO4/c1-4-12-13(17)15(14(12)19-9(2)16)10-5-7-11(18-3)8-6-10/h4-8,14H,1-3H3/b12-4+
InChIKeyBEHSNOIVFUYAOB-UUILKARUSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-[(E)-3-oxobut-1-enyl]azetidin-2-one
CID 101112443
(3R,4S)-4-[(E)-but-2-en-2-yl]-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 177457722
[(3S)-8-fluoro-4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-3H-pyrrolo[3,4-c]quinolin-3-yl] acetate
CID 139187349
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
CID 100929846
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
[(2R,3S)-2-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl] acetate
CID 69138960
methyl (Z)-3-[(2R,3S)-1-(4-methoxyphenyl)-3-methyl-4-oxoazetidin-2-yl]prop-2-enoate
CID 23248228
methyl (2S,3S)-3-acetyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14486426
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate (CID 12050447) is [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate is C/C=C1\C(=O)N(c2ccc(OC)cc2)C1OC(C)=O.
What is the InChIKey of [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is BEHSNOIVFUYAOB-UUILKARUSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-12-13(17)15(14(12)19-9(2)16)10-5-7-11(18-3)8-6-10/h4-8,14H,1-3H3/b12-4+.
What are the key properties of [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate?
[(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 261.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-ethylidene-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 12050447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).