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
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
-3.3909 1.0710 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0915 1.2118 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2127 1.3011 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2310 0.2670 -0.2498 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2691 -1.0233 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 -1.4712 -1.4506 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0121 -1.6865 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7856 -0.8647 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0666 0.3694 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5473 1.3446 0.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1901 -1.1454 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8213 1.0203 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0647 1.0022 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 1.2565 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6818 2.2935 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 1.3294 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2680 -2.6980 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8882 -0.9468 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3284 -2.1843 0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.4465 1.3230 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