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
-2.0284 -1.9621 -1.1207 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2569 -0.9234 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3080 -0.7112 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2105 0.5021 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0793 1.1962 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 2.3869 0.7401 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4991 0.2925 -0.4535 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 0.5452 -1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9235 0.1512 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 1.0986 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7441 0.7912 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2698 -0.4880 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6197 -1.4334 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4455 -1.1235 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0649 -1.4435 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8626 0.9499 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 1.5846 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4438 -0.1005 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1399 2.1049 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2286 1.5650 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2003 -0.7050 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0648 -2.4280 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9209 -1.8496 -1.3396 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