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
    3.2025    1.1497    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820    0.2573   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247   -0.7702    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3157   -0.6320   -0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079   -1.2766   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214   -2.0779   -1.8473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -0.8191   -0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    0.0234    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    0.1774    0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    0.9176    1.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692    0.6957    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    1.1317    1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    1.9056   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    0.2816   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -0.6164    1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0591   -1.7999    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -1.1291   -1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561    0.3731    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9868    0.4216   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9578    1.7868    0.4767 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