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
2.3211 0.7680 0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1395 0.3729 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0442 1.2069 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1073 0.4173 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7090 -0.9861 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4283 -2.0176 -0.0779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -0.9849 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0892 2.2996 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 0.7762 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3248 -1.8523 -0.0027 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