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
   -4.5856   -0.0303   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0816   -0.0110    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    0.8587    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.8161    0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -0.0468    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384   -0.8925   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139   -0.8971   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046   -0.0211    0.1661 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -0.3747    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572   -0.3986    2.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -0.7390    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    0.2281   -0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4680    0.8280   -0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213    0.3546   -0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    0.7345   -1.9905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9503    0.6368    0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8873    0.3018   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9316   -1.0515    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.5489    1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232    1.5030    1.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761   -1.5729   -1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -1.5567   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719   -1.7656    0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0301   -0.5881    1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366    1.5044   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    0.6311   -0.2565 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