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
    2.6061   -0.0506   -1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    0.7157   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980    0.9487    0.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    1.7651    1.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    0.4100    0.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4544   -0.4699   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.7325   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704   -0.4813    1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    0.6534    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371    1.6496    1.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583   -0.6603   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -0.1261   -1.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    1.2565    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -1.4631   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145   -0.0608   -1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    0.0104   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079   -1.7592   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0847   -0.2160    1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281   -1.3895    1.6303 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