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
2.9184 -0.1710 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 -0.6689 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8073 0.2434 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4652 0.1644 -0.0868 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5428 -0.6863 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 -1.5560 -1.3249 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -0.4154 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 0.5460 1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8561 0.9517 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 1.8508 1.6287 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0874 0.8884 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 -0.8146 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6846 -1.7518 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7227 -0.0064 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1995 1.2868 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6025 -0.8560 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7733 0.9948 2.1839 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