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
    2.7590   -0.4917   -1.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581    0.5962   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678    1.1251    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    0.4090    0.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -0.5761    1.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -1.0121    2.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4473   -0.9826    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869   -0.3018   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7109    0.5900   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804    1.3591   -1.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1095   -0.4312   -0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472   -0.7536   -1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -1.1799   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567    1.2408   -0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    2.1571   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    1.2775    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608   -1.7091    1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676    0.4792   -1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -1.3563   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9325   -0.4394   -0.1572 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