Monomers
N-Phenylmaleimide
Identifiers
IUPAC name
1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InchI Key
HIDBROSJWZYGSZ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H7NO2
Heavy Atom Count
13
Molecular Weight
173.171
Exact Molecular Weight
173.0477
Valence Electrons
64
Radical Electrons
0
tPSA
37.38
MolLogP
1.116
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
20 21 0 0 0 0 0 0 0 0999 V2000
1.7146 0.2972 -2.2411 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9681 -0.0114 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 -0.3226 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1815 -0.6027 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7706 -0.4864 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2800 -0.6783 2.2801 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0029 -0.1173 -0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 0.0868 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2656 -0.9811 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6494 -0.8399 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2134 0.4253 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3500 1.5029 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9770 1.3480 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2183 -0.3201 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0043 -0.8641 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8154 -1.9634 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3021 -1.6942 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2966 0.5326 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8375 2.4783 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3288 2.2103 0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
7 2 1 0
13 8 1 0
3 14 1 0
4 15 1 0
9 16 1 0
10 17 1 0
11 18 1 0
12 19 1 0
13 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers