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
1.0451 0.0499 -2.4941 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6085 -0.0669 -1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9810 0.4055 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8719 0.6719 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5907 1.5275 1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8146 -0.2018 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5936 -0.5265 2.0961 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0240 -0.6649 -0.2038 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1098 -1.5344 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3942 -0.8081 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6058 -1.4646 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8074 -0.7867 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8324 0.5877 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6253 1.2486 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4383 0.5641 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6752 -0.4271 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2480 1.3221 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3584 2.1340 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4377 1.6500 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0963 -2.1513 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0704 -2.2886 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5889 -2.5360 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7637 -1.2917 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7791 1.1323 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6457 2.3311 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4915 1.1240 0.0373 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