Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.5953    0.3949    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    0.2791    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    0.3090   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209    0.2046   -1.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3124    0.0690   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    0.0397    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    0.1439    1.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -0.0401   -0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    0.5914   -1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    1.2104   -2.1087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547    0.4508   -0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3820   -0.6034    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4417   -1.2540    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907   -0.7658    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -1.4545    1.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9097    1.4243   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747    0.0876    1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9847   -0.2740   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064    0.4161   -1.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734    0.2320   -2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350   -0.0658    2.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    0.1198    2.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.1006   -1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7462    1.4118   -0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3320   -1.9967    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4034   -1.0307    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers