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
1.2348 0.6814 2.6196 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 0.4124 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6209 1.1075 0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9233 0.1675 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 0.1385 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 -0.7230 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5859 -1.5052 -1.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 -0.5699 0.5979 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3036 -1.2970 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4616 -0.5691 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7045 -1.1509 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8367 -0.5375 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6890 0.6706 -0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 1.2499 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3049 0.6498 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2109 2.0364 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4994 1.3358 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1483 -0.5872 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8033 0.8553 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 -1.4161 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 -2.2800 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8170 -2.1086 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8215 -1.0101 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5667 1.1707 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 2.2070 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 1.0719 -0.5002 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