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
    2.6704    0.4091    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906   -0.5720    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841   -0.9710   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010   -1.9879   -1.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316   -0.3639   -0.1649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    0.7717    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8515    1.0281    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866   -0.3936   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.8738   -0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872   -1.5605   -1.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199    1.0827    1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970    0.5690    1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162   -1.1728    0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.6127    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    1.7145    0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    1.5122    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    1.5665   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561   -0.9502    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -0.4209   -0.6381 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