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
2.4128 0.4357 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 0.2055 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -1.0302 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7849 -0.8667 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 0.5046 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 1.0011 -0.5823 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 1.1602 -0.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9947 -1.9589 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -1.6134 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3194 2.1622 -0.8222 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