Monomers
2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-
Identifiers
IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
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
-4.5724 0.1736 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1068 0.1136 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3287 -0.6141 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -0.6745 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 -0.0190 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0960 0.7151 -0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4635 0.7713 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 -0.1060 -0.2315 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 -0.9522 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2497 -1.4963 -2.1405 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1944 -1.0381 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4004 0.2471 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5583 0.8545 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0826 0.6488 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8565 1.5162 1.4096 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8538 0.3343 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9878 -0.8300 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0497 0.9831 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8289 -1.1422 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 -1.2550 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6117 1.2442 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0870 1.3502 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2939 -1.8530 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9302 -1.1933 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4588 0.4259 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6763 1.7958 0.7058 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
5 6 1 0
6 7 2 0
5 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 2 3
12 14 1 0
14 15 2 0
7 2 1 0
14 8 1 0
1 16 1 0
1 17 1 0
1 18 1 0
3 19 1 0
4 20 1 0
6 21 1 0
7 22 1 0
11 23 1 0
11 24 1 0
13 25 1 0
13 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers