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
2.7881 0.1842 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8896 -0.3096 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9553 0.5463 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 0.1945 -0.3718 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2035 0.7480 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8488 1.6632 1.4504 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 0.0565 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5033 -0.8478 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 -0.8076 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8212 -1.5152 -1.9746 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8781 1.2469 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4479 -0.4584 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8250 -1.3849 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 1.6004 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1597 0.3422 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 0.2562 1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3321 -1.5149 -0.5884 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