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
    3.5385   -0.4131    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2283   -0.5935    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293    0.5236   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    1.6556   -0.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.3366   -0.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -0.9195    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.5636    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3394    0.8559   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0147    1.3330   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7391    2.4139   -1.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -1.2415    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076    0.5320    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.5564    0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706   -1.6498   -0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452   -1.3178    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852   -1.2605   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389   -0.5956    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842    1.5130    0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1015    0.9477   -0.9452 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