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
    3.4867    0.3506    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577    0.5145    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.5312    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -1.6272    0.9202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658   -0.4209   -0.1148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619    0.7173   -0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0090    0.7948   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263   -0.6609   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -1.3633    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -2.6110    0.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208   -0.5514    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    1.1111    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    1.4244   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712    1.6382   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421    0.4521   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629    1.1415    0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195    1.4365   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079   -0.8885   -1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489   -0.9266    0.7370 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