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
   -4.6019    0.0014    0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175    0.0153    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -1.0878   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -1.0165   -0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    0.1139   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.2081    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3945    1.1623    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1029    0.1217   -0.2573 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874    0.7388   -1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    1.4819   -2.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343    0.4033   -1.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2911    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836   -0.6636    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -0.5153    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6757   -1.1632    1.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8743    0.3060    1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1570    0.5690   -0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -1.0753    0.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773   -1.9840   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -1.8672   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    2.1235    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393    2.0351    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    1.3106   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -0.2718   -1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3922   -1.1734    1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4780   -0.4819    0.5306 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