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
    2.0472   -0.7167    0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470    0.2713   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092    0.9075   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2644    0.3679   -0.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827   -0.7116   -0.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -1.3911   -1.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508   -0.8798   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136    0.0128    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942    0.8199    0.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070    1.7537    1.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -1.1010    1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.1804    1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277    0.6627   -0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688    0.7248   -1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851    2.0031   -0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9869   -1.6260   -0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1648    0.0828    1.3598 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