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
    4.6394   -0.0830    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -0.0590    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526    0.2566    1.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660    0.2831    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -0.0055    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -0.3206   -0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -0.3497   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242    0.0219   -0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588   -0.0038   -1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412    0.3105   -2.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2477   -0.4768   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172    0.1149    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5603    0.5626    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870    0.0935    1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8641    0.1340    2.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065   -0.4641   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375    1.0056    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051   -0.6857    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497    0.4858    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.5332    2.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -0.5665   -1.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -0.5935   -1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1946   -1.5783   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9991   -0.1131   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733    0.5199    0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    0.9780    1.9531 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