Monomers

2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-

Identifiers

IUPAC name
1-prop-2-enoylpyrrolidin-2-one
InchI
InChI=1S/C7H9NO2/c1-2-6(9)8-5-3-4-7(8)10/h2H,1,3-5H2
InchI Key
DGPVNNMFVYYVDF-UHFFFAOYSA-N
SMILES
C=CC(=O)N1CCCC1=O
Canonical SMILES
C=CC(=O)N1CCCC1=O
Isomeric SMILES
C=CC(=O)N1CCCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5769    0.3961   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.3849   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378   -0.2902    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841   -0.8689    1.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532   -0.3063    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -0.9525    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    0.0853    0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105    0.3695   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7626    0.2745   -1.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    0.6565   -2.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368   -0.1048    0.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.8916   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    0.8945   -1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308   -1.1138    1.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -1.8665    0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -0.3531    1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963    0.9936    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342   -0.4542   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    1.3638   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers