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
3.0606 -1.1138 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3207 -0.1480 -0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 0.0086 -0.2889 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5297 -0.9130 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7956 -0.6914 1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9208 -0.3216 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 1.1547 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1340 1.2516 -1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2887 1.0736 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 2.0418 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -1.7985 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0997 -1.2105 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7551 0.5201 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6684 -1.9859 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2633 -0.7996 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7689 0.0468 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0859 -1.6594 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8699 -0.4853 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0164 -0.9385 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 1.6986 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9480 1.5627 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3510 2.2268 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4729 0.4803 -1.9471 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