Monomers
1-Benzyl-3-methylenepyrrolidine-2,5-dione
Identifiers
IUPAC name
1-benzyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InchI Key
OGHZHVONWMXUPW-UHFFFAOYSA-N
SMILES
O=C1CC(=C)C(=O)N1Cc1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
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
1.5017
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
1.3537 1.2628 2.3299 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 0.6037 1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7155 0.9652 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8879 -0.2846 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9920 -0.5860 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6586 -1.0712 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4177 -2.0645 -1.0294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 -0.5002 0.7426 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4186 -0.9770 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5192 -0.3448 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0673 0.8244 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1031 1.4235 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5819 0.8492 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0484 -0.3168 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0085 -0.9041 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 1.8409 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 1.1107 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 -1.5152 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8362 0.0677 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 -2.0947 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5217 -0.7463 2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 1.3126 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5314 2.3483 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3933 1.3318 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4577 -0.7133 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6082 -1.8224 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 3
4 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 2 1 0
15 10 1 0
3 16 1 0
3 17 1 0
5 18 1 0
5 19 1 0
9 20 1 0
9 21 1 0
11 22 1 0
12 23 1 0
13 24 1 0
14 25 1 0
15 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers