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
    3.8365    0.9958   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010    0.4333    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994   -0.8191    1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -1.3307    0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668   -2.5224    0.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516   -0.1717    0.1341 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404    0.9311    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968    2.1418   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9807   -0.1214   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037   -1.2242   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0675   -1.1331   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7124    0.0790   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0012    1.1968    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374    1.0686    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8079    0.5423    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    1.9160   -0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886   -0.5823    2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -1.5368    0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -2.1808   -0.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6749   -1.9960   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7800    0.2056   -0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790    2.1525    0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    1.9557    0.5118 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