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
2.3960 0.5145 0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1702 0.2775 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5668 -1.0499 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7511 -0.9383 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0954 0.4734 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2718 0.9152 -0.0607 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1235 1.2286 0.0181 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 -1.9618 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -1.7360 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 2.2768 0.0318 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