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
-1.5481 -1.6011 1.5341 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9159 -0.7734 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2659 -0.4328 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 0.4810 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8040 0.7977 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 1.6209 -1.8198 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9932 0.0126 -0.1221 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -0.0003 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1287 1.1903 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5024 1.1838 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 -0.0210 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 -1.2202 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 -1.1825 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1709 -0.8647 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0233 0.9594 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 2.1053 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0754 2.1135 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2545 -0.0599 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9837 -2.1852 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5762 -2.1233 0.1363 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