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
1.4026 -2.2126 0.8039 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -1.1179 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2337 -0.7414 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2890 0.4924 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 0.9845 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5545 2.1180 -0.8464 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -0.0295 -0.0171 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 0.0218 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1432 -0.3064 -1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 -0.2657 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2367 0.1123 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5149 0.4428 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1379 0.3997 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1186 -1.3617 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1863 1.0776 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -0.6114 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0631 -0.5341 -2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3187 0.1368 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 0.7394 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5423 0.6554 1.9936 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