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
    3.6181    0.0666   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    0.3433   -0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2718   -0.5798   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -1.6755    0.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.2688   -0.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252   -1.1477   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416   -0.3295   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    1.0904   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    0.9322   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    1.6831   -1.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513   -0.8944    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061    0.7423   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1170    1.2949   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2277   -2.0241   -0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344   -1.4181    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428   -0.5304   -1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322   -0.4529    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768    1.7830   -0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    1.3853    0.7604 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