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
-1.3642 1.1100 -1.3658 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7092 0.2525 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1182 -0.0135 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6025 -0.8811 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0794 0.7627 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7561 -0.4355 0.2472 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6445 -0.2321 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.2094 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8491 -1.0642 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4430 0.0587 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5989 1.0074 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2082 0.8757 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8520 0.2110 0.0389 N 0 0 0 0 0 4 0 0 0 0 0 0
5.5725 -0.6697 0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3641 1.3370 -0.5481 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.6943 -1.0090 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9761 -1.4726 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5147 1.6130 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8384 0.0506 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5597 1.2043 -2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 -1.1700 0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0488 -2.0896 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5142 -1.8142 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0435 1.8919 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6504 1.6862 -0.8552 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