Monomers
2-Methyl-N-phenylmaleimide
Identifiers
IUPAC name
3-methyl-1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
InchI Key
QAVUFFJVZGZJMO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
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
1.5061
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
3.9289 0.8286 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6563 0.0656 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5404 -1.1915 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0995 -1.4699 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5873 -2.5782 -0.9082 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3611 -0.2896 -0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3486 0.6868 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 1.8853 0.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0668 -0.1380 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 1.1141 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 1.2983 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8408 0.2022 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2953 -1.0686 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9162 -1.2160 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0894 1.5479 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7859 0.1642 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 1.4781 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3405 -1.8834 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 1.9865 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3715 2.3224 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9195 0.3716 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9675 -1.9045 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5279 -2.2119 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 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
1 15 1 0
1 16 1 0
1 17 1 0
3 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