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
   -1.6985    1.2029   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565    0.5188    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9976   -0.4276    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979   -0.4240    0.3739 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121    0.4530    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338    1.3481    1.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    0.1273   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -0.8433   -1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019   -1.2464   -0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2407   -2.1448   -1.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671    1.1317   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    1.8731   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9142    0.6492    1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534   -0.0971    2.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576   -1.4756    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2419    0.6336   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522   -1.2787   -2.0624 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