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
-2.7533 -0.9247 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8557 0.0649 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0469 0.4980 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3723 0.3236 -0.3222 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 1.2521 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 2.4280 0.6422 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 0.6244 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5030 -0.6075 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -0.8583 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6434 -1.9061 -1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3529 -1.2582 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9004 -1.4224 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7330 0.5416 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3466 -0.1091 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 1.5602 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4826 1.1145 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 -1.3208 -0.2540 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