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
    3.5956    0.2657    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647   -0.2116    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    0.5804   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    1.7649   -0.5979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671    0.1088   -0.2846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955    0.8623   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918    0.4149    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694   -1.0831    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796   -1.1578    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -2.1982    0.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    1.2733    0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982   -0.3251    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -1.2180    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117    0.5420   -1.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490    1.9562   -0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3008    0.6779   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156    0.8248    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -1.4977   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441   -1.5522    1.1318 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