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
    2.8278    0.8037   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -0.3700   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764   -0.9606   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -2.1581   -0.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223   -0.4485    0.1499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -1.1757    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.0047   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.1012    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570    0.6596    0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    1.2091    1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    1.5545    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8981    1.0914   -0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593   -1.0100   -0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -1.5294    1.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462   -1.9848   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019    0.2411   -1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -0.1939   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766    1.1015    1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080    2.0735   -0.0138 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