Monomers
N-Benzylmaleimide
Identifiers
IUPAC name
1-benzylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InchI Key
MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
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
1.1116
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
-1.7806 2.3130 -0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 1.2080 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2973 1.0090 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3411 -0.2991 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 -0.9964 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -2.2431 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4834 -0.0263 -0.7512 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 -0.3027 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 -0.2065 -0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5856 1.0119 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7550 1.1084 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2754 0.0132 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6463 -1.2114 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4788 -1.2906 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0081 1.7529 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1055 -0.7407 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2683 0.3952 -2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4112 -1.3319 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1714 1.8860 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2356 2.0870 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2002 0.1131 1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1046 -2.0277 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9677 -2.2214 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 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
3 15 1 0
4 16 1 0
8 17 1 0
8 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