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
3.9232 0.8426 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6546 0.1389 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5145 -1.0249 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 -1.3667 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5825 -2.3970 -1.3017 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3399 -0.3080 -0.2009 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3159 0.6296 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 1.7048 0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 -0.1571 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 0.1064 1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9807 0.2602 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8545 0.1614 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 -0.1014 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9269 -0.2603 -1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8045 1.4135 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0969 1.5989 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7657 0.1573 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3261 -1.6687 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9170 0.1826 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3795 0.4653 2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9261 0.2753 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9551 -0.1873 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4846 -0.4656 -2.1357 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