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
2.3769 0.6300 0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1574 0.3376 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6206 -1.0063 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6973 -0.9352 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 0.4419 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 0.8149 -0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0426 1.2183 0.0591 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1871 -1.9545 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3771 -1.8089 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1321 2.2621 0.1118 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