Monomers
N-Allylmaleimide
Identifiers
IUPAC name
1-prop-2-enylpyrrole-2,5-dione
InchI
InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-4H,1,5H2
InchI Key
PSFDAYXWBWRTSM-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)C=CC1=O
Canonical SMILES
C=CCN1C(=O)C=CC1=O
Isomeric SMILES
C=CCN1C(=O)C=CC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H7NO2
Heavy Atom Count
10
Molecular Weight
137.138
Exact Molecular Weight
137.0477
Valence Electrons
52
Radical Electrons
0
tPSA
37.38
MolLogP
0.0974
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
2.7226 -1.1168 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8464 -0.1619 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 0.4543 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3264 0.3059 -0.2234 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 -0.7022 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -1.7055 -1.3455 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.3753 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 0.7626 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1753 1.2415 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 2.3059 1.0326 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 -1.4858 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2654 -1.5583 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6975 0.1511 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4499 0.0497 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 1.5587 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -0.9695 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4424 1.2456 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 4 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers