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
    3.3146    0.0435    1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -0.5032    1.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727   -1.0313    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290   -0.3364   -0.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439    0.8525   -1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    1.4757   -1.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673    1.1684   -1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977    0.2857   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -0.7154    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187   -1.7143    0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3812    0.3190   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    0.4172    2.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290    0.1258    0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317   -0.5706    2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819   -0.8860   -0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.0963    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437    2.0380   -1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796    1.3147    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097    0.2708   -1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7423   -0.4578    0.3012 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