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
   -2.8644    0.3291   -0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178   -0.3525   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -0.9219    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -0.3323    0.1163 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    0.8818    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213    1.5910    1.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2717    1.1298    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    0.1646   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -0.7707   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890   -1.8208   -1.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6015    0.7690   -0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.4745    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6645   -0.4939   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -2.0243    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811   -0.6715    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851    1.9831    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262    0.0650   -1.2552 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