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
-1.5697 0.8980 1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0856 0.3828 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5148 0.2496 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6223 -0.3332 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3115 -0.6181 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 -1.1702 -2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3457 -0.1595 -0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1146 -0.2352 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 1.1043 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6994 1.3147 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6666 0.2107 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1548 -1.1366 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6421 -1.1519 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3025 0.5896 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5742 -0.5534 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3875 -0.7134 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0421 1.8748 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2905 1.3579 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0879 1.5732 1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 2.2336 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6468 0.3734 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9408 0.1659 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5034 -1.3375 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 -1.8946 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 -0.8293 1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 -2.1959 0.2362 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