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
    3.3853    0.6205   -0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    0.6687    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -0.5915    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -0.4578    0.1027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171   -0.7973   -1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239   -1.2689   -2.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347   -0.4969   -0.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519   -0.0218    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.0303    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569    0.4386    2.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2632    0.4012    0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619   -0.3213   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9323    1.4901   -1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1515    1.6041    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513   -1.4552   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719   -0.7936    1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892   -0.6516   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0980    0.1677    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -0.0867    1.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2786    1.5215    0.9385 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