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
2.3309 0.8414 -0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1496 0.4127 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 1.1899 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 0.3769 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -0.9925 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3682 -2.0247 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -0.9758 -0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1937 2.2615 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1919 0.7004 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -1.7899 -0.0325 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