Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7141    0.3930    1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658    0.2801    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260    0.0368   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -0.4514   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774   -1.1030   -2.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -0.0853   -0.1676 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2495    0.3619    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.7848    2.0381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -0.1260   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.2159    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0397   -1.2317    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515   -0.1349   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0861    0.9618   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252    0.9495   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013    0.3092    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149    0.5721    2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873    1.0333   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4952   -0.6806   -1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -2.0851    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5846   -2.0997    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8325   -0.1062   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6768    1.8212   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048    1.8163   -0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers