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
    2.9557   -0.7149    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    0.2033   -0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1782    0.5733   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    1.5789   -1.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0507    0.0735   -0.4542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    0.6837   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119    0.7435    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435   -0.6268    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -1.0233    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -2.1561    0.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0416   -0.8815    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -1.3428    0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3610    0.7717   -1.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004    1.6581   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -0.0537   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959    0.9712    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780    1.4684    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5683   -1.2893    0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -0.6372    2.1410 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