Monomers

1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-

Identifiers

IUPAC name
3-methyl-1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5H,1,4H2,2H3
InchI Key
FGERGCLLTZOZLN-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=C(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC=C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.4875
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

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.3575    0.9789    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    0.0859    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128   -0.8148   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767   -0.6188   -0.0449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270   -1.2952    0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358   -2.1792    1.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525   -0.7831    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476    0.1321   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5612    0.2672   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225    1.0437   -1.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236    0.8784   -0.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985    1.6275    1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5530    1.0627   -0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    0.0123    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774   -0.6325   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978   -1.8603    0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8597   -1.0934    1.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258    1.3439   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7142    0.1597   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7495    1.6849   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
  9  4  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  7 17  1  0
 11 18  1  0
 11 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers