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
   -2.8451    1.0759    0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -0.0968   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296   -0.7187   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701   -1.9390   -1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -0.2389   -0.4773 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1635   -1.0745   -0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -0.5822    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7381    0.7179    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5631    0.9862   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891    2.1159   -0.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312    1.8135    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8870    1.4020    0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218   -0.6915   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -2.1183   -0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -1.0207   -1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.4053   -0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -1.3511    0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    1.5112    0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    0.6143    1.7920 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