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
2.4113 0.3736 -0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1886 0.1637 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1465 1.1777 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0321 0.5946 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8564 -0.8353 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 -1.7284 -0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -1.0876 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2958 2.2540 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9677 1.1181 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0189 -2.0305 -0.2181 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