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
2.3788 0.6166 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1764 0.3074 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0315 1.1997 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0928 0.4741 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7536 -0.9378 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5533 -1.8922 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6651 -1.0170 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0095 2.2791 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0760 0.8821 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2145 -1.9120 -0.0417 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