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
   -3.5344   -0.7151    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -0.5079   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526    0.7339   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.4650    0.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151    0.4053    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6475    0.5803    2.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521    0.1105    1.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -0.0058    0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    0.2098   -0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146    0.1787   -1.9603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4335   -0.3058   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.0537    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1286   -1.6077   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0505   -1.2744   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889    1.3896    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    1.2893   -1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    0.0047    2.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0618    0.6000    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -1.2129    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571   -0.3913   -1.3059 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