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
    2.8695    0.4657    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419   -0.5419   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.9434   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1832   -1.9749   -1.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -0.4357   -0.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137   -0.9651   -0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2922    0.1543   -0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4981    1.2881    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    0.5235    0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133    0.6621    2.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421    0.6837    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942    1.1327    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -1.1190   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541   -1.8371    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -1.2002   -1.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626   -0.1531    0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996    0.4599   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620    1.8474    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    1.9530   -0.5704 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