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
-4.5895 0.4447 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1175 0.2721 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 -0.2051 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1696 -0.3586 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 -0.0405 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.4396 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2572 0.5933 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1003 -0.2031 -0.2103 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8269 -1.1009 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3718 -1.6683 -2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2186 -1.2680 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4325 0.0812 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5784 0.7141 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1029 0.5395 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 1.4508 1.3513 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1016 0.6535 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7601 1.2396 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0488 -0.4787 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 -0.4580 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 -0.7369 -2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2338 0.6907 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7115 0.9644 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9569 -1.4293 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 -2.0739 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5536 1.6878 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5022 0.2499 -0.0898 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