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
-4.5331 -0.6879 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0678 -0.4093 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.3782 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 0.6044 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 0.0549 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9113 -0.7364 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2798 -0.9492 -0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 0.2681 -0.0457 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 1.2751 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2094 2.0001 -1.6798 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1513 1.3660 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3925 0.0689 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5693 -0.5339 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.4739 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8828 -1.4578 1.3592 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0124 0.1228 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6877 -1.6545 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9680 -0.6703 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1180 0.8011 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6565 1.2113 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3168 -1.1780 -1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7665 -1.5559 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8091 1.4788 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2835 2.2368 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6045 -1.4968 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 -0.0625 0.2132 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