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
1.9572 -0.2798 2.2662 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2142 0.0349 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2746 0.9368 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2503 1.0313 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1889 0.2090 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 0.0454 -2.4246 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5417 -0.4152 -0.1117 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4354 -1.3240 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8703 -0.6736 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 -0.3945 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7047 0.2285 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3896 0.5818 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8074 0.3037 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5870 -0.3046 -1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9848 1.4633 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9305 1.6405 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -2.0568 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -1.9510 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 -0.6531 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1788 0.4554 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3637 1.0675 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3438 0.5804 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -0.5259 -2.0544 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