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
2.2739 0.9505 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1043 0.4540 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1699 1.1973 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1640 0.3133 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 -1.0359 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 -2.1106 -0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8048 -0.9346 -0.0284 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2523 2.2747 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2129 0.6063 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 -1.7150 -0.0520 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