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
-1.1864 -1.4654 1.9975 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6126 -0.7617 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8576 -1.0481 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8634 -0.1024 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 -0.1276 -1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7533 0.8146 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5193 1.8138 -1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0026 0.4090 0.5416 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1644 1.0163 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 0.4907 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6039 1.0126 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8144 0.5669 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7981 -0.4009 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6115 -0.9248 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4087 -0.4778 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8771 -2.1185 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7736 -0.8671 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5115 -0.8655 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6708 0.6006 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1063 2.1230 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1667 0.8360 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6004 1.7860 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7121 0.9962 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7552 -0.7373 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7034 -1.6793 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 -0.8893 -0.8212 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