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
    3.6994    1.1636    0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6898    0.5055    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923   -0.1931   -1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1264   -0.0367   -1.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6564    0.0432   -2.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4455   -0.0022   -0.1800 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    0.3304    0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    0.4685    2.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9231   -0.2423    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -1.3359    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8457   -1.4721    0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7136   -0.5095    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.5999   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162    0.7235   -0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914    1.6111    1.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090    1.2383    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459    0.3638   -1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.2587   -1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -2.0968    1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2663   -2.3331    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7802   -0.5685    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068    1.3952   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366    1.6059   -0.9063 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