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
    3.5620    0.2367   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    0.1039    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209   -0.0697   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065   -0.0949   -2.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141   -0.2066   -0.4157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -0.1933    0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713    0.3449    0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905   -0.1057   -0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -0.3855   -1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572   -0.7217   -2.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7587    0.2095   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3610    0.3649    0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    0.1224    1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708    0.4452    1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591   -1.2441    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772    0.0021    1.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    1.4647    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792    0.7401   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1104   -1.0129   -0.3452 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