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
    3.5766   -0.2294   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -0.4254   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202    0.5106    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    1.4869    0.7048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0627    0.2997   -0.2147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511    1.1594    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3971    0.3778    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9689   -1.0248   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320   -0.7619   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655   -1.3660   -1.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    0.6228    0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -0.9414   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709   -1.3062   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    2.1156   -0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    1.4352    1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014    0.7723   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0974    0.4050    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6263   -1.5370   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -1.5934    0.6082 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