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
    3.5519   -0.4774   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.5932   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3402    0.3461    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    1.2846    1.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771    0.1921    0.3984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921   -0.8487   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -0.3442   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2355    1.0301    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184    1.0672    1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    1.7507    2.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1967   -1.1776   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9813    0.3363    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102   -1.4104   -0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425   -1.0602   -1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745   -1.7498    0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -1.0388    0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5367   -0.3380   -1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582    1.2775    0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0441    1.7537   -0.6852 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