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
    4.5893   -0.1117   -0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075   -0.0486   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119   -0.7414    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.6757    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    0.0795   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    0.7776   -1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    0.7044   -1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    0.1431   -0.2336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    1.3324   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    2.4983    0.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    1.0403   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3832   -0.4258   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4457   -1.1451    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0015   -0.9287   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -2.1653   -0.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468    0.8302   -0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423   -0.1778    0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595   -1.0184   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9868   -1.3380    1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651   -1.2042    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644    1.3740   -1.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751    1.2423   -2.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6995    1.3574   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064    1.5161    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3551   -2.2074    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4272   -0.7074    0.1466 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