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
1.3447 1.4944 0.9636 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 0.5137 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1038 0.3548 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5174 -0.6151 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0752 1.3409 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -0.3895 -0.2996 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 -0.3185 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 -0.9750 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 -0.9959 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3911 -0.3282 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 0.3154 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 0.3285 1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7871 -0.3083 0.5717 N 0 0 0 0 0 4 0 0 0 0 0 0
-5.2403 0.2917 1.5594 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6145 -0.9535 -0.3043 O 0 0 0 0 0 1 0 0 0 0 0 0
4.5980 -0.6811 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8965 -1.3555 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5138 1.8815 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8526 0.8572 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5450 2.0700 1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0291 -1.2068 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1093 -1.5072 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5399 -1.5091 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9351 0.8498 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 0.8458 1.7743 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