Monomers
N-Cyclohexylmaleimide
Identifiers
IUPAC name
1-cyclohexylpyrrole-2,5-dione
InchI
InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InchI Key
BQTPKSBXMONSJI-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1C1CCCCC1
Canonical SMILES
C1CCC(CC1)N2C(=O)C=CC2=O
Isomeric SMILES
C1CCC(CC1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H13NO2
Heavy Atom Count
13
Molecular Weight
179.219
Exact Molecular Weight
179.0946
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.2441
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
26 27 0 0 0 0 0 0 0 0999 V2000
-2.6418 -2.1612 -0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5812 -0.9416 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7322 -0.0440 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 1.1460 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7926 1.1090 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9812 2.0346 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -0.2345 -0.3055 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0059 -0.7066 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7802 0.0703 -1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 0.8361 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6255 0.3741 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -0.8855 0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 -0.6804 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7646 -0.3471 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8650 2.0074 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0706 -1.8019 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 0.7860 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0894 -0.6354 -2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 1.9235 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7080 0.8645 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7232 0.1615 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6197 1.1381 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2876 -1.7880 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 -0.9477 1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3150 0.2582 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1480 -1.5357 1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
7 2 1 0
13 8 1 0
3 14 1 0
4 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
13 25 1 0
13 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers