Monomers
2-Methyl-N-(4-nitrophenyl)prop-2-enamide
Identifiers
IUPAC name
2-methyl-N-(4-nitrophenyl)prop-2-enamide
InchI
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InchI Key
DPNRVEROTZRVQP-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10N2O3
Heavy Atom Count
15
Molecular Weight
206.201
Exact Molecular Weight
206.0691
Valence Electrons
78
Radical Electrons
0
tPSA
72.24
MolLogP
2.1094
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
-1.4650 0.9130 1.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7198 0.1802 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1194 -0.0064 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 -0.7413 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1467 0.6610 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6775 -0.3975 -0.6853 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -0.2072 -0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -1.2020 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9203 -1.0535 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4028 0.0566 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5169 1.0332 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 0.8969 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7819 0.2367 0.4239 N 0 0 0 0 0 4 0 0 0 0 0 0
5.5723 -0.6543 0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2836 1.3241 1.0707 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7858 -1.2492 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5210 -0.8683 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8194 1.2161 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6923 1.3019 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6877 -0.1640 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -1.0267 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1669 -2.0571 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6206 -1.8269 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 1.9351 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4851 1.6994 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
13 14 2 0
13 15 1 0
12 7 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
5 20 1 0
6 21 1 0
8 22 1 0
9 23 1 0
11 24 1 0
12 25 1 0
M CHG 2 13 1 15 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers