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
-1.2935 2.0052 -1.2462 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7754 0.9696 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1796 0.6669 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2916 -0.4787 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9678 -0.9925 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -2.0533 1.0797 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0173 -0.0768 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4098 -0.0661 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0588 0.7375 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 0.7593 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2274 -0.0167 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5815 -0.8203 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1878 -0.8388 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9665 1.3054 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2405 -0.9470 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 1.3513 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 1.4039 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3071 0.0097 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1732 -1.4444 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6646 -1.4742 -1.5036 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