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
2.4217 0.2267 -0.2671 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 0.1253 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 -1.0897 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8694 -0.8049 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0356 0.6161 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1258 1.2249 -0.1249 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2537 1.1706 -0.2692 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8710 -2.0848 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6300 -1.5574 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 2.1732 -0.4332 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