Monomers
3-Methyl-1-(2-methylphenyl)pyrrole-2,5-dione
Identifiers
IUPAC name
3-methyl-1-(2-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-7H,1-2H3
InchI Key
HGGWGNOOIKZWES-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1C
Canonical SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Isomeric SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
26 27 0 0 0 0 0 0 0 0999 V2000
3.9528 0.3523 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 -0.2142 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5783 -1.2632 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1549 -1.4992 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -2.4408 1.3759 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3946 -0.5204 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3481 0.2935 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 1.2986 -1.4954 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 -0.3914 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8310 -1.4410 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2123 -1.2985 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7948 -0.1230 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 0.9140 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 0.7790 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7520 1.8845 0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8283 -0.0905 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0739 0.1530 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0175 1.4483 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4043 -1.8577 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -2.3596 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8049 -2.1274 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8695 -0.0128 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3831 1.8586 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7231 2.6843 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2172 2.3985 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2569 1.5751 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
7 2 1 0
14 9 1 0
1 16 1 0
1 17 1 0
1 18 1 0
3 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
13 23 1 0
15 24 1 0
15 25 1 0
15 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers