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
1.6181 1.7159 1.2023 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 0.8754 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2313 0.5440 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1379 -0.3885 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7407 -0.7392 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2589 -1.5981 -2.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9940 0.0564 -0.3911 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 0.0056 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9853 -0.1495 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 -0.2006 1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1497 -0.0961 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5724 0.0600 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1842 0.1141 -1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1959 0.9719 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9391 -0.8642 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3577 -0.2317 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8236 -0.3205 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2476 -0.1335 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2145 0.1406 -2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7183 0.2380 -2.3940 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