Monomers
2,5-Pyrrolidinedione, 3-methylene-1-phenyl-
Identifiers
IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
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
23 24 0 0 0 0 0 0 0 0999 V2000
-3.9679 0.5431 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7711 0.0276 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4712 -1.3351 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9962 -1.4173 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3769 -2.4595 -0.8693 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 -0.1822 -0.0838 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4852 0.6755 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3013 1.8702 0.6463 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9881 0.0995 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5777 1.0609 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9490 1.3202 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7182 0.6073 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1316 -0.3495 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7759 -0.5997 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8613 -0.0233 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0238 1.5468 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9301 -1.5589 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8258 -2.0719 0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 1.6511 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4084 2.0791 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7781 0.8028 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -0.9176 1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3369 -1.3692 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 2 1 0
14 9 1 0
1 15 1 0
1 16 1 0
3 17 1 0
3 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
13 22 1 0
14 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers