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
   -3.8864    0.5796   -0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7372   -0.0163   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4988   -1.3910    0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903   -1.2423    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -2.0011    1.5889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405   -0.1798   -0.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4301    0.5833   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    1.5910   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9641    0.0686   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869   -0.4084    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -0.1317    0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444    0.6126   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    1.0860   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5647    0.8148   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7920    0.0279   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9176    1.5677   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -2.1672   -0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2078   -1.5794    0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   -1.0036    1.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7861   -0.5128    1.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172    0.8087   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3849    1.6777   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    1.2159   -1.8301 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