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
    3.5700   -0.1408    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723   -0.3849    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794    0.6653    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6816    1.8343    0.3878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    0.3643    0.1259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790   -0.9646   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1066   -0.6531   -0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081    0.5402    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506    1.3184    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0664    2.5732    0.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225   -0.9029   -0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860    0.8705    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   -1.4077   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -1.6020    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -1.4594   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -1.5069   -0.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768   -0.4029   -1.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898    1.1080    0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260    0.1509    1.4076 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