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
2.4663 0.3500 0.0412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 0.2010 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 -1.0775 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8128 -0.8807 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0659 0.5664 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2163 1.0917 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2037 1.2062 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9487 -2.0534 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5811 -1.6420 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3521 2.2384 0.0294 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