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
2.3075 0.8132 0.0448 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 0.3941 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0810 1.1829 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1168 0.3777 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 -0.9987 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -2.0394 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7360 -0.9463 -0.2738 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1160 2.2677 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1358 0.7248 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3607 -1.7761 -0.4032 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