Monomers

N-Tert-butylacrylamide

Identifiers

IUPAC name
N-tert-butylprop-2-enamide
InchI
InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InchI Key
XFHJDMUEHUHAJW-UHFFFAOYSA-N
SMILES
C=CC(=O)NC(C)(C)C
Canonical SMILES
CC(C)(C)NC(=O)C=C
Isomeric SMILES
CC(C)(C)NC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NO
Heavy Atom Count
9
Molecular Weight
127.187
Exact Molecular Weight
127.0997
Valence Electrons
52
Radical Electrons
0
tPSA
29.1
MolLogP
1.0871
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.7621    0.0108   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6223   -0.1028   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443    0.0056   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479    0.2154    1.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -0.1164   -0.8002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    0.0053   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.1444   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1262    1.3303    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040   -1.1088    0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7165   -0.0667   -0.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7404    0.1894    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397   -0.2817   -1.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520   -0.2892   -1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5131    0.7464   -1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2017   -0.2059   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361   -1.0232   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    2.0210    0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001    1.8496    0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906    1.1897    1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1148   -1.6098    1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -0.7076    1.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -1.9071    0.6901 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
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers