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
Resources
cid=

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
   -2.5115    1.4836   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    0.4447   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072   -0.4587    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436   -0.4422    0.2535 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615    0.4090    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8152    1.3174    1.7285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.0749    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668   -0.9291   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818   -1.3096   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   -2.2289   -1.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7261    1.6620    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168    2.1507   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.2329   -1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955   -1.5052    0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -0.0939    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    0.5755    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3392   -1.3830   -0.7347 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