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
4.6026 -0.0151 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1209 -0.0530 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 0.9014 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0485 0.9213 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -0.0345 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0326 -0.9932 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4175 -1.0058 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1047 0.0020 0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8769 0.7122 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5092 1.0772 2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2425 0.9686 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4016 -0.2821 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5719 -0.8592 -0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 -0.6086 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -1.3251 -1.7773 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0285 0.3909 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0400 -1.0119 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9408 0.6465 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9650 1.6593 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5266 1.6945 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 -1.7559 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9125 -1.7723 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1506 1.8557 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0164 1.0873 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4536 -0.4497 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6369 -1.7505 -1.1531 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