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
3.1300 -0.8354 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 -0.0819 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9693 0.0541 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4478 -0.6970 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0059 -0.6535 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7075 -0.6580 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1272 0.8009 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 1.4781 -1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 0.9019 -1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0353 1.2496 -1.9894 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1828 -0.9241 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6756 -1.3810 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8986 0.4564 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.3980 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 -1.7751 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3156 -1.5934 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3553 0.1727 1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9933 -0.9804 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 -1.3406 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 0.7652 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2921 1.3067 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9814 2.5507 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3367 1.5822 -2.1728 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