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
    3.7906    0.4180   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6903   -0.0579   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    0.1906    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    0.8608    1.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2288   -0.3470   -0.6279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -0.1479   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    1.3455   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -0.8583   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417   -0.6810    1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7324    0.2145   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415    1.0037    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637   -0.6223   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669   -0.8907   -1.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882    1.7129    0.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    1.9037   -0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756    1.6144   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158   -0.6194   -2.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1387   -0.6355   -0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491   -1.9507   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.7116    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696    0.0154    2.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561   -0.7573    1.4862 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