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
3.9147 0.6206 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6331 0.1031 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5674 -0.8478 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1502 -1.1049 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 -1.9425 -1.8053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3582 -0.2323 -0.1831 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.5245 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9953 1.4078 1.4311 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 -0.1145 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7333 0.7149 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1000 0.8444 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8609 0.1510 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2166 -0.6697 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -0.8005 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6891 0.9314 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7130 -0.1292 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 1.5669 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4000 -1.3696 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 1.2547 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5428 1.5091 -1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9492 0.2570 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8354 -1.2182 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 -1.4560 1.4640 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