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
    3.5654    0.2803   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.0723   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    0.3467    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877    0.7807    1.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1057    0.1362    0.3257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6488   -0.3570   -0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519   -0.1079   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658   -0.3766    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    0.3753    1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997    1.0729    2.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8197    0.6504    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389    0.0834   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0740   -0.3069   -1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728   -1.4540   -1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095    0.1316   -1.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838   -0.8580   -1.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.9225   -1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144    0.0419    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -1.4337    0.8680 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