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
4.5888 0.2823 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1033 0.1007 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2895 1.2003 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 1.0736 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3145 -0.1547 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1374 -1.2525 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5260 -1.1302 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 -0.2190 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9424 -1.1898 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6143 -2.0810 1.4447 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3372 -1.0302 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3577 0.3108 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4059 1.0329 -0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 0.6962 -0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5175 1.6940 -1.3186 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8234 1.3610 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9206 -0.0778 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1073 -0.3187 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 2.1815 0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 1.9438 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 -2.2125 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1689 -1.9957 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0466 -1.0531 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6177 -1.7956 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 0.6224 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3017 2.0112 -1.2844 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