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
    3.8309    0.8746   -0.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131    0.2979   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -1.0635    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1833   -1.3223    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232   -2.4276    0.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -0.1551   -0.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.8279   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    2.0070   -0.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -0.0098    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    0.4140    1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461    0.5573    1.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7615    0.2680    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112   -0.1590   -0.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -0.2903   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    1.8819   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7582    0.3551   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463   -1.1011    1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -1.8327   -0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    0.6370    2.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351    0.8873    2.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8544    0.3716    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546   -0.3919   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711   -0.6262   -1.8618 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