(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one

C12H12FNO — CID 10081669

IUPAC(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C12H12FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2-
InChIKeyBRYBVBDBOPHOQQ-SGAXSIHGSA-N
MW205.23 g/mol
LogP2.27
Rot. Bonds2

About (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one

(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one (PubChem CID 10081669) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one
PubChem CID10081669
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C12H12FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2-
InChIKeyBRYBVBDBOPHOQQ-SGAXSIHGSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-1-benzyl-3-ethylidene-4-[furan-2-yl(hydroxy)methyl]azetidin-2-one
CID 10660626
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
tert-butyl (2E,5R)-4-benzyl-2-ethylidene-5-methyl-3,6-dioxopiperazine-1-carboxylate
CID 58767416
1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
2-[1-(1-benzyl-2-oxo-4-phenylazetidin-3-ylidene)but-2-en-2-ylamino]oxyacetic acid
CID 57225796
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298

Frequently Asked Questions

What is the IUPAC name of (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one?
The IUPAC name of (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one (CID 10081669) is (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one.
What is the SMILES notation for (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one?
The canonical SMILES for (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one is C/C=C1\C(=O)N(Cc2ccccc2)C1F.
What is the InChIKey of (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one?
The InChIKey is BRYBVBDBOPHOQQ-SGAXSIHGSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/b10-2-.
What are the key properties of (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one?
(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one has a molecular weight of 205.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one is sourced from PubChem (CID 10081669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).