Monomers
Maleimide
Identifiers
IUPAC name
pyrrole-2,5-dione
InchI
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
InchI Key
PEEHTFAAVSWFBL-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1
Canonical SMILES
C1=CC(=O)NC1=O
Isomeric SMILES
C1=CC(=O)NC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H3NO2
Heavy Atom Count
7
Molecular Weight
97.073
Exact Molecular Weight
97.0164
Valence Electrons
36
Radical Electrons
0
tPSA
46.17
MolLogP
-0.801
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
10 10 0 0 0 0 0 0 0 0999 V2000
2.4434 0.2682 -0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1900 0.1406 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 1.2114 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0310 0.6456 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 -0.8199 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 -1.6508 0.0125 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 -1.1175 -0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3824 2.2719 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 1.1116 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 -2.0610 -0.0209 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 2 1 0
3 8 1 0
4 9 1 0
7 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers