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
    2.9001   -0.6158   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8776    0.0173   -0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    0.8326    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102    0.3539    0.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439   -0.6263    1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334   -1.1967    1.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -0.7782    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635    0.0168   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.7563   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463    1.6119   -1.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5484   -1.1968   -0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134   -0.5742    0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6688   -0.0272   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    1.8521   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3478    0.8669    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1529   -1.4517    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    0.1592   -1.0322 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