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
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
3.7387 -0.2806 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 0.1153 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.1132 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1393 -0.6817 -1.4015 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3229 0.3065 0.4819 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0581 0.1447 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.7294 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3381 -1.3646 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4971 0.6887 -1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7535 -0.1009 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5334 -0.7882 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9754 0.6075 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 0.7840 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1372 -0.0634 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3007 1.5100 1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7962 1.2411 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8278 -1.7582 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 -1.8280 1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 -1.5343 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1887 1.7238 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2022 -0.0293 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6172 0.6917 -1.1148 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