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
    3.6792   -1.4426   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334   -0.6313   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258    0.8514   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3779    1.2037    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    2.2735    0.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669    0.1344    0.0175 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   -1.0041   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946   -2.1731   -0.6764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    0.1383    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274    1.0641   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998    1.1017   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7538    0.2030    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9840   -0.7213    1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918   -0.7697    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650   -1.0128   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -2.5040   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    1.2624    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    1.1529   -1.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2020    1.7685   -1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6925    1.8336   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8318    0.1994    0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4956   -1.4292    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -1.4989    1.5323 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