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
3.8963 1.0859 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6366 0.2850 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5804 -1.0152 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1734 -1.4577 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7851 -2.6434 0.3257 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3677 -0.3037 -0.0111 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2641 0.7794 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9821 1.9699 -0.3565 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0714 -0.2102 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 1.0240 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0957 1.1397 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8668 0.0185 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 -1.1996 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 -1.3159 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2902 1.3463 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6230 0.4616 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6574 2.0468 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4316 -1.7029 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1534 1.9316 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6043 2.0869 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9595 0.0592 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7945 -2.0962 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 -2.2899 -0.2790 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