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
2.2322 1.0161 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 0.4669 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1648 1.1826 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1596 0.3047 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5980 -1.0351 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2322 -2.1197 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 -0.9329 -0.0767 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 2.2603 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2213 0.5868 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -1.7298 -0.0900 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