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
3.9315 0.6859 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 -0.0678 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4330 -1.3535 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0076 -1.6645 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 -2.8082 -0.1219 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3261 -0.4398 -0.0916 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 0.5707 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1346 1.8217 -0.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 -0.1403 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5646 0.8612 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9029 1.1997 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7848 0.5112 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3142 -0.4944 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 -0.8191 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8564 1.4142 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 0.0649 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9995 1.3041 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2270 -2.0942 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8436 1.3961 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2626 1.9845 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8670 0.7231 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0071 -1.0422 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5750 -1.6131 1.3804 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