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
   -2.2891    0.3248    1.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    0.2238    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8665   -0.1405   -0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -0.3677   -0.5964 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -1.6099   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5060   -2.7289   -0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725   -1.4032    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641   -0.1203   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    0.5784   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246    1.8054   -0.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    0.4331    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480    0.1443    1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9665    0.5977    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870    0.4125   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992    0.6910   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -1.0207   -1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543   -2.1687    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772    1.5242    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389    0.3527   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6522   -0.0457    0.9843 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