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
1.8033 0.0227 -1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1622 -0.2584 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1157 -0.3228 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2037 -0.0587 0.5431 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 1.1825 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 2.2943 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1923 0.9275 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3412 -0.3654 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1149 -1.0361 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -2.2647 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5651 0.0748 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 0.2003 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1815 -0.4362 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1436 -1.2698 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3268 0.4864 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9111 1.7097 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1880 -0.8861 -0.8730 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