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
   -3.8386    1.0894    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    0.3170    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6176   -1.1539    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1975   -1.3574   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822   -2.4340   -0.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264   -0.2048   -0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.8264    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0924    2.0207    0.5569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821   -0.0560   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609   -0.1501    1.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    0.0029    1.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7477    0.2567    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018    0.3560   -1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    0.1958   -1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7802    2.1578    0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7888    0.6035   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7003   -1.6193    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230   -1.6360   -0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -0.3480    2.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -0.0692    2.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204    0.3825    0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    0.5557   -2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    0.2643   -2.1056 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