Monomers
N-Vinylcaprolactam
Identifiers
IUPAC name
1-ethenylazepan-2-one
InchI
InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
InchI Key
JWYVGKFDLWWQJX-UHFFFAOYSA-N
SMILES
C=CN1CCCCCC1=O
Canonical SMILES
C=CN1CCCCCC1=O
Isomeric SMILES
C=CN1CCCCCC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H13NO
Heavy Atom Count
10
Molecular Weight
139.198
Exact Molecular Weight
139.0997
Valence Electrons
56
Radical Electrons
0
tPSA
20.31
MolLogP
1.5325
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
23 23 0 0 0 0 0 0 0 0999 V2000
3.1093 0.6867 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 -0.3091 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 -0.3395 0.2427 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 0.7944 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5912 1.5769 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 0.6635 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9900 -0.4963 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 -1.7598 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 -1.5693 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -2.5950 -0.2431 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1142 0.5769 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8837 1.6282 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6687 -1.2091 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2370 0.5047 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 1.4975 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 2.1687 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1950 2.2677 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4436 1.3050 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 0.2980 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0636 -0.7081 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0130 -0.2986 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4579 -2.1439 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5962 -2.5393 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
4 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers