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
    3.5868    0.0269   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632   -0.3736   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    0.4134   -0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4773    1.4955   -1.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231    0.0251   -0.2851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962    0.7959   -0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841    0.6389    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -0.8431    0.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6545   -1.1050    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -2.1604    0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    0.9425   -0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   -0.5696   -0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -1.2956    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644    1.8763   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7703    0.3769   -1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    1.2226    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295    0.9352    0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068   -0.9439    1.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7927   -1.4580    0.2940 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