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
2.7302 -0.3211 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9046 -0.1589 -1.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 0.0519 -0.3382 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8347 -0.6736 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5011 -1.1124 1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5441 -0.0073 1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1025 0.2945 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3463 1.4555 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0432 1.0165 -0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3207 1.5783 -2.0159 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6425 -0.9408 -2.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7346 0.3596 -3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 -0.8682 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3761 -0.2088 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4330 -1.6216 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3060 -1.3462 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 -2.0113 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3653 -0.4058 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 0.8066 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1916 0.4724 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9295 -0.5668 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9707 2.0487 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1690 2.1588 0.4528 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