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
    3.4523    0.1488   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    0.4303   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562   -0.3045    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666   -1.2161    1.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193    0.0116    0.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -0.6151    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309   -0.8362    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682    0.5285   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444    0.9972   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3238    2.0686   -0.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1299    0.6485   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -0.6280   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    1.1950   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728   -1.5476    1.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008    0.1334    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541   -1.5928   -0.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.1164    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    1.2073    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    0.4876   -1.4805 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