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
2.7854 0.6931 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6853 0.9718 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0233 -0.0339 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3474 -0.2593 -0.2192 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7879 -1.2126 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0835 -2.0407 1.3496 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2246 -1.0614 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 -0.0826 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4936 0.4568 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 1.3940 -1.5007 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2258 1.4656 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2280 -0.2822 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2313 1.9566 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 -0.9786 -0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9561 0.4112 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8876 -1.6261 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6901 0.2283 -0.0500 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