Monomers

1-Methyl-3-methylene-2-pyrrolidinone

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InchI Key
AFXKUUDFKHVAGI-UHFFFAOYSA-N
SMILES
CN1CCC(=C)C1=O
Canonical SMILES
CN1CCC(=C)C1=O
Isomeric SMILES
CN1CCC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.4047
H Bond Acceptors
1
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

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4016    0.3002    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    0.1087    0.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.7125   -0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763   -1.0437   -0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    0.2063    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5153    0.8132    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0741    0.6463    0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496    1.3588    1.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539    1.0008   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    0.7139    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -0.6638    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.0792   -1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -1.5874   -1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -1.2775   -1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -1.8426    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    1.7105    0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    0.3480   -0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers