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
    3.7941   -0.0678    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569   -0.3806   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -0.0147    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    0.6309    1.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1903   -0.3690   -0.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709    0.0111   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.4783   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    1.5172    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2182   -0.6231    1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7438    0.4797    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730   -0.3153   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039   -0.9276   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -0.9043   -1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.1898   -1.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322    0.0408   -0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949   -1.5525   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269    1.8656   -1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210    1.8077    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    1.9972    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -0.0334    2.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936   -0.8552    1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7291   -1.6387    1.3005 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