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
2.7944 0.5606 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8368 -0.3291 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0547 -0.4318 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 -0.1962 0.1275 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0293 1.0588 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4696 2.1609 0.4412 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4494 0.8336 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6484 -0.4424 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3806 -1.1495 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1330 -2.3792 -0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3575 0.6329 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0164 1.2198 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6265 -0.9849 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 0.2700 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 -1.4482 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2295 1.5848 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5872 -0.9600 -0.5849 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