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
   -2.8886    0.3360   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064   -0.5069   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -0.1037    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -0.0727    0.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351   -1.0868    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -2.2535    0.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349   -0.5517   -0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708    0.6964   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    1.0708   -0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    2.2183   -0.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6823    0.0970   -1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    1.3140    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863   -1.4614   -0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697   -0.8526    1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314    0.9152    1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327   -1.1198   -0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716    1.3613   -1.1489 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