Monomers

3-Methylidene-1-propan-2-ylpyrrolidine-2,5-dione

Identifiers

IUPAC name
3-methylidene-1-propan-2-ylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-5(2)9-7(10)4-6(3)8(9)11/h5H,3-4H2,1-2H3
InchI Key
DBKRPGDEXPANMB-UHFFFAOYSA-N
SMILES
CC(N1C(=O)CC(=C)C1=O)C
Canonical SMILES
CC(C)N1C(=O)CC(=C)C1=O
Isomeric SMILES
CC(C)N1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7099
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.1301   -1.2739   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5255    0.0839   -0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    0.0628   -0.1462 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5081   -0.1364    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372    0.0238    2.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -0.5633    0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    0.1425   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864    0.5864   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279    0.2393   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234    0.4415   -2.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416    1.1392    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372   -1.2892   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765   -1.4128    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536   -2.0944   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342    0.2578   -1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.2992    1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   -1.6426    0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5138    1.0874   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682    0.4551   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8943    1.7597   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    1.7550    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8781    0.6772    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  9 10  2  0
  2 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers